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Home > Products > Pharmaceuticals & Life Science > Pharmaceutical Intermediates > (S,E)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-Methylenecyclohexanol
(S,E)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-Methylenecyclohexanol structure, CAS 1233749-00-2

(S,E)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-Methylenecyclohexanol

CAS Number1233749-00-2

SynonymsMFCD30537661; EINECS 252-891-2; (3S,5E,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol; 5-trans-25-hydroxycholecalciferol; (3β,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol

Molecular FormulaC27H44O2

Molecular Weight400.64

Purity

Density1.01±0.1 g/cm3(Predicted)

Boiling Point529.2±33.0 °C(Predicted)

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-3179324 Purity:
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Quality Control of [ 1233749-00-2 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1233749-00-2
Catalog No.2A-3179324
Chinese Name(S,E)-3-((E)-2-((1R,3AS,7AR)-1-((R)-6-羟基-6-甲
SynonymsMFCD30537661; EINECS 252-891-2; (3S,5E,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol; 5-trans-25-hydroxycholecalciferol; (3β,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
Molecular FormulaC27H44O2
Molecular Weight400.64
Density1.01±0.1 g/cm3(Predicted)
Boiling Point529.2±33.0 °C(Predicted)
PubChem ID11622371
SMILESC=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O
InChIInChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12+/t20-,23+,24-,25+,27-/m1/s1
InChI KeyJWUBBDSIWDLEOM-VBBWTYDJSA-N
Transport InfoProduct name: (S,E)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol
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