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Betulin diacetate structure, CAS 1721-69-3

Betulin diacetate

CAS Number1721-69-3

SynonymsBetulin 3,28-diacetate; Lup-20(29)-ene-3,28-diol, diacetate; Betulinol diacetate; Einecs 217-015-5; Lup-20(29)-ene-3,28-diyl diacetate; MFCD00017378

Molecular FormulaC34H54O4

Molecular Weight526.790

Purity98%

Density1.1±0.1 g/cm3

Boiling Point548.1±23.0 °C at 760 mmHg

Melting Point221-223ºC

Flash Point

Appearance

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9009388 Purity: 98%
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Quality Control of [ 1721-69-3 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1721-69-3
Catalog No.2A-9009388
Chinese Name桦木脑二乙酸
SynonymsBetulin 3,28-diacetate; Lup-20(29)-ene-3,28-diol, diacetate; Betulinol diacetate; Einecs 217-015-5; Lup-20(29)-ene-3,28-diyl diacetate; MFCD00017378
Molecular FormulaC34H54O4
Molecular Weight526.790
Purity98
Density1.1±0.1 g/cm3
Boiling Point548.1±23.0 °C at 760 mmHg
Melting Point221-223ºC
Storage Condition2-8°C
ApplicationBetulin diacetate is a natural diterpene, an anti-AIDS drug, and also has anti-cancer activity [1][2].
SMILESC=C(C)C1CCC2(COC(C)=O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12
InChIInChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1
InChI KeyMIROITGPMGDCGI-MQXQNARFSA-N
Hazard SymbolsTransport
BioactivityBetulin diacetate, a natural diterpene, is an anti-AID agent and also possesses anti-cancer activity[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection Research Areas >> Inflammation/Immunology References [1]. I C Sun, et al. Anti-AIDS agents. 34. Synthesis and structure-activity relationships of betulin derivatives as anti-HIV agents. J Med Chem. 1998 Nov 5;41(23):4648-57. [2]. T P Shakhtshneider, et al. New composites of betulin esters with arabinogalactan as highly potent anti-cancer agents. Nat Prod Res. 2016 Jun;30(12):1382-7. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 548.1±23.0 °C at 760 mmHg Melting Point 221-223ºC Molecular Formula C34H54O4 Molecular Weight 526.790 Flash Point 258.0±21.0 °C Exact Mass 526.402222 PSA 52.60000 LogP 10.80 Vapour Pressure 0.0±1.5 mmHg at 25°C Index of Refraction 1.526 InChIKey MIROITGPMGDCGI-MQXQNARFSA-N SMILES C=C(C)C1CCC2(COC(C)=O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12 Storage condition 2-8°C
Use ofBetulin diacetate, a natural diterpene, is an anti-AID agent and also possesses anti-cancer activity[1][2]. Properties Name betulin diacetate Synonym More Synonyms Lup-20(29)-ene-3,28-diyl diacetate Biological Activity Description Betulin diacetate, a natural diterpene, is an anti-AID agent and also possesses anti-cancer activity[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection Research Areas >> Inflammation/Immunology References [2]. T P Shakhtshneider, et al. New composites of betulin esters with arabinogalactan as highly potent anti-cancer agents. Nat Prod Res. 2016 Jun;30(12):1382-7. Chemical & Physical Properties Molecular Formula C34H54O4 Exact Mass 526.402222 PSA 52.60000 LogP 10.80 Index of Refraction 1.526 InChIKey MIROITGPMGDCGI-MQXQNARFSA-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 See reverse side of invoice or packing slip.
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