(2β,12α,25R)-2,12-Dihydroxyspirosta-4,7-dien-3-one

CAS Registry Number®

197080-19-6

CAS Name

(2β,12α,25R)-2,12-Dihydroxyspirosta-4,7-dien-3-one

Molecular Formula

C27H38O5

Molecular Mass

442.59

Cite this Page

(2β,12α,25R)-2,12-Dihydroxyspirosta-4,7-dien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=197080-19-6 (retrieved 2025-01-30) (CAS RN: 197080-19-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3/t14-,15+,18+,19+,21+,22+,23+,24+,25+,26-,27-/m1/s1

InChIKey

InChIKey=QRAOBCVRMVGMTN-QWNORFRRSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@@H](C)CO4)(C[C@]1(C=5[C@](C[C@@H]2O)([C@]6(C)C(CC5)=CC(=O)[C@@H](O)C6)[H])[H])[H])[H]

Canonical SMILES

O=C1C=C2CC=C3C(CC(O)C4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1O

Other Names for this Substance

  • Spirosta-4,7-dien-3-one, 2,12-dihydroxy-, (2β,12α,25R)-
  • (2β,12α,25R)-2,12-Dihydroxyspirosta-4,7-dien-3-one
  • Muzanzagenin