(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 No. 36149-00-5

Basic Information

(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 Number

36149-00-5

Molecular Formula

C27H44O2

Molecular Weight

400.65 g/mol

Quick Actions

Basic Physical Properties

SMILES

O[C@@H]1C/C(C(CC1)=C)=C\C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O)C)C)[C@@]3(C)CCC\2

InChI

InChI=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+

InChIKey

JWUBBDSIWDLEOM-XHQRYOPUSA-N

LogP

6.733900000000008

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Classification & Uses

Safety Information

Synonyms & References

English

  • 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol,(3b,5E,7E)- (9CI)
  • (3E)-3-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • 25-Hydroxy-5,6-trans-cholecalciferol
  • 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
  • (3beta,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol
  • (5E,7Z)-9,10-secocholesta-5,7,10-triene-3,25-diol
  • 25-Hydroxy-5,6-trans-vitamin D3
  • 5,6-trans-25-Hydroxycholecalciferol
  • 5,6-trans-25-Hydroxyvitamin D3
  • 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3beta,5E,7E)-

MDL_Number

MFCD30534331

CAS Number

36149-00-5

Recommended Suppliers

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Beijing ShenDa Fine Chemical Co., Ltd.
AustriaAustria - Bachmann electronic GmbH
United KingdomUnited Kingdom - Luxinar Ltd.
ChinaChina - Guangdong QiKang Real Estate Development Co., Ltd.
ChinaChina - Beijing Puna Chemical Product Co., Ltd.
IndiaIndia - Belchem Industries (india) Pvt. Ltd.
SpainSpain - HERPASA
GermanyGermany - Helga B. Koch und Günter Koch GbR

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