Typhasterol

CAS Registry Number®

87734-68-7
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CAS Name

Typhasterol

Molecular Formula

C28H48O4

Molecular Mass

448.68

Cite this Page

Typhasterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87734-68-7 (retrieved 2024-08-12) (CAS RN: 87734-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-231 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

InChIKey

InChIKey=SBSXXCCMIWEPEE-SELDZKRUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](C(=O)C3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Ergostan-6-one, 3,22,23-trihydroxy-, (3α,5α,22R,23R,24S)-
  • (3α,5α,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one
  • Typhasterol
  • 2-Deoxycastasterone