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Sclareolide structure, CAS 564-20-5

Sclareolide

CAS Number564-20-5

Synonyms(3aR,9aS,9bR)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one; (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one; Sclareolide

Molecular FormulaC16H26O2

Molecular Weight250.38

Purity97%

Density1.0±0.1 g/cm3

Boiling Point321.4±10.0 °C at 760 mmHg

Melting Point124-126 °C (lit.)

Flash Point

Appearancepowder

EINECS209-269-0

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9012405 Purity: 97%
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Quality Control of [ 564-20-5 ] Purity: 97% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number564-20-5
Catalog No.2A-9012405
Chinese Name香紫苏内酯
Synonyms(3aR,9aS,9bR)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one; (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one; Sclareolide
Molecular FormulaC16H26O2
Molecular Weight250.38
Purity97
Density1.0±0.1 g/cm3
Boiling Point321.4±10.0 °C at 760 mmHg
Melting Point124-126 °C (lit.)
Appearancepowder
Storage ConditionRoom Temperature
ApplicationSclareolide is isolated from the flowers of Salvia sclarea and has antibacterial and cytotoxic effects.
EINECS209-269-0
PubChem ID24861957
MDL NumberMFCD00134168
SMILES[H][C@@]12CC[C@@]3(C)OC(=O)C[C@]3([H])[C@@]1(C)CCCC2(C)C
InChI1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
InChI KeyIMKJGXCIJJXALX-SHUKQUCYSA-N
NACRES CodeNA.22
UNSPSC12352005
Hazard SymbolsTransport
MSDSmsds/12405_1_564_20_5.pdf
BioactivitySclareolide is isolated from the flower of Salvia sclarea with antibacterial and cytotoxic activities[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial Target IC50: bacterial[1] In Vitro Sclareolide has a good antibacterial activity against Staphylococcus aureus ATCC 25923, Pseudomonas aeruginosa ATCC 27950, Escherichia coli ATCC 25922 and Enterococcus faecalis ATCC 29212[1]. References [1]. Hayet E, et al. Antibacterial and cytotoxic activity of the acetone extract of the flowers of Salvia sclarea and some natural products.Pak J Pharm Sci. 2007 Apr;20(2):146-8. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 321.4±10.0 °C at 760 mmHg Melting Point 124-126ºC Molecular Formula C16H26O2 Molecular Weight 250.376 Flash Point 132.4±16.4 °C Exact Mass 250.193283 PSA 26.30000 LogP 4.32 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.490 InChIKey IMKJGXCIJJXALX-SHUKQUCYSA-N SMILES CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12
Use ofSclareolide is isolated from the flower of Salvia sclarea with antibacterial and cytotoxic activities[1]. Properties Name (3aR)-(+)-Sclareolide Synonym More Synonyms Sclareolide Biological Activity Description Sclareolide is isolated from the flower of Salvia sclarea with antibacterial and cytotoxic activities[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial IC50: bacterial[1] In Vitro Sclareolide has a good antibacterial activity against Staphylococcus aureus ATCC 25923, Pseudomonas aeruginosa ATCC 27950, Escherichia coli ATCC 25922 and Enterococcus faecalis ATCC 29212[1]. References [1]. Hayet E, et al. Antibacterial and cytotoxic activity of the acetone extract of the flowers of Salvia sclarea and some natural products.Pak J Pharm Sci. 2007 Apr;20(2):146-8. Chemical & Physical Properties Molecular Formula C16H26O2 Exact Mass 250.193283 PSA 26.30000 Index of Refraction 1.490 InChIKey IMKJGXCIJJXALX-SHUKQUCYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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