(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one

CAS Registry Number®

141360-88-5
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CAS Name

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one

Molecular Formula

C28H46O6

Molecular Mass

478.66

Cite this Page

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141360-88-5 (retrieved 2024-09-06) (CAS RN: 141360-88-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3/t16-,17-,19-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1

InChIKey

InChIKey=KQBCIGPPRFLKLS-UMQUCXETSA-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)C)O)(C)O)(CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Ergost-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)-
  • (2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one
  • (+)-Polyporusterone A
  • Polyporusterone A