(5E)-Calcipotriene structure, CAS 113082-99-8

(5E)-Calcipotriene

CAS Number113082-99-8

Synonyms(1S,3R,5E,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; 5,6 Trans-Calcipotriol

Molecular FormulaC27H40O3

Molecular Weight412.60

Purity

Density1.1±0.1 g/cm3

Boiling Point582.0±50.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-3179318 Purity:
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Quality Control of [ 113082-99-8 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number113082-99-8
Catalog No.2A-3179318
Chinese Name5,6-反式-卡泊三醇
Synonyms(1S,3R,5E,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; 5,6 Trans-Calcipotriol
Molecular FormulaC27H40O3
Molecular Weight412.60
Density1.1±0.1 g/cm3
Boiling Point582.0±50.0 °C at 760 mmHg
Storage Condition2-8℃
ApplicationCalcipotriol Impurity C is an impurity in calcipotriol.
PubChem ID24110562
MDL NumberMFCD22573293
SMILESC=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C=CC(O)C2CC2)CC(O)CC1O
InChIInChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10+/t17-,22-,23-,24+,25-,26+,27-/m1/s1
InChI KeyLWQQLNNNIPYSNX-LFDOYIGJSA-N
NACRES CodeNA.24
UNSPSC41116107
Transport InfoProduct Name: Calcipotriol Impurity C
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