9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, monohydrate, (1α,3β,5Z,7E)-

CAS Registry Number®

77326-95-5

CAS Name

9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, monohydrate, (1α,3β,5Z,7E)-

Molecular Formula

C27H44O3.H2O

Cite this Page

9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, monohydrate, (1α,3β,5Z,7E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77326-95-5 (retrieved 2024-11-24) (CAS RN: 77326-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O3.H2O/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2;/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3;1H2/b20-10+,21-11-;/t18-,22-,23-,24+,25+,27-;/m1./s1

InChIKey

InChIKey=VMBWEMQRTFKRSU-RFHBVEJWSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H].O

Canonical SMILES

O.OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(O)(C)C)CC(O)C1

Other Names for this Substance

  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, monohydrate, (1α,3β,5Z,7E)-
  • 1α,25-Dihydroxycholecalciferol monohydrate

CAS INSIGHTSTM
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