9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-

CAS Registry Number®

31316-20-8
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CAS Name

9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-

Molecular Formula

C31H50O2

Molecular Mass

454.73

Cite this Page

9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31316-20-8 (retrieved 2024-06-26) (CAS RN: 31316-20-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H50O2/c1-7-10-30(32)33-27-17-14-23(4)26(21-27)16-15-25-13-9-20-31(6)28(18-19-29(25)31)24(5)12-8-11-22(2)3/h15-16,22,24,27-29H,4,7-14,17-21H2,1-3,5-6H3/b25-15+,26-16-/t24-,27+,28-,29+,31-/m1/s1

InChIKey

InChIKey=QUUDUVNKJWQDFG-BXWGOXEHSA-N

SMILES

C[C@@]12[C@](/C(=C/C=C\3/C[C@@H](OC(CCC)=O)CCC3=C)/CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

O=C(OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)C)C(=C)CC1)CCC

Other Names for this Substance

  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-
  • Cholecalciferol, butyrate

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