Pterosterone

CAS Registry Number®

18089-44-6
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CAS Name

Pterosterone

Molecular Formula

C27H44O7

Molecular Mass

480.63

Cite this Page

Pterosterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18089-44-6 (retrieved 2024-03-29) (CAS RN: 18089-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    229-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O7/c1-14(2)18(28)12-23(32)26(5,33)22-7-9-27(34)16-10-19(29)17-11-20(30)21(31)13-24(17,3)15(16)6-8-25(22,27)4/h10,14-15,17-18,20-23,28,30-34H,6-9,11-13H2,1-5H3/t15-,17-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1

InChIKey

InChIKey=UMMBJCYNGLCGEF-OAUIFJKNSA-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](C[C@@H](C(C)C)O)O)(C)O)(CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-7-en-6-one, 2,3,14,20,22,24-hexahydroxy-, (2β,3β,5β,22R,24S)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22,24-hexahydroxy-, (22R)-
  • (2β,3β,5β,22R,24S)-2,3,14,20,22,24-Hexahydroxycholest-7-en-6-one
  • Pterosterone

Deleted or Replaced CAS Registry Numbers

22693-53-4

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