Inokosterone

CAS Registry Number®

15130-85-5
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CAS Name

Inokosterone

Molecular Formula

C27H44O7

Molecular Mass

480.63

Cite this Page

Inokosterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15130-85-5 (retrieved 2024-04-19) (CAS RN: 15130-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    255 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1

InChIKey

InChIKey=JQNVCUBPURTQPQ-XDWLXSIGSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](CCC(CO)C)O)(C)O)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(C)CO)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Cholest-7-en-6-one, 2,3,14,20,22,26-hexahydroxy-, (2β,3β,5β,22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22,26-hexahydroxy-, (22R,25RS)-
  • (2β,3β,5β,22R)-2,3,14,20,22,26-Hexahydroxycholest-7-en-6-one
  • Inokosterone
  • NSC 342715

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Deleted or Replaced CAS Registry Numbers

11033-11-7, 15216-44-1, 25318-46-1, 39284-25-8, 88980-54-5, 353742-39-9

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