Homocastasterone

CAS Registry Number®

83509-42-6
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CAS Name

Homocastasterone

Molecular Formula

C29H50O5

Molecular Mass

478.70

Cite this Page

Homocastasterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=83509-42-6 (retrieved 2024-05-06) (CAS RN: 83509-42-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    256-257 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28+,29+/m0/s1

InChIKey

InChIKey=WADMTJKRYLAHQV-NKOPCKDMSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H]([C@H]([C@@H]([C@H](C(C)C)CC)O)O)C)(CC4)[H])[H])(CC(=O)[C@]1(C[C@H](O)[C@H](O)C2)[H])[H])[H]

Canonical SMILES

O=C1CC2C3CCC(C(C)C(O)C(O)C(CC)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Stigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)-
  • (2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxystigmastan-6-one
  • (24S)-24-Ethylbrassinone
  • Homocastasterone
  • 28-Homocastasterone

Deleted or Replaced CAS Registry Numbers

129464-54-6

CAS INSIGHTSTM
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