(3β,19α,21β)-13,17-Dimethyl-A′-neo-26,28-dinorgammacer-9(11)-ene-3,19-diol

CAS Registry Number®

142778-12-9
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CAS Name

(3β,19α,21β)-13,17-Dimethyl-A′-neo-26,28-dinorgammacer-9(11)-ene-3,19-diol

Molecular Formula

C30H50O2

Molecular Mass

442.72

Cite this Page

(3β,19α,21β)-13,17-Dimethyl-A′-neo-26,28-dinorgammacer-9(11)-ene-3,19-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142778-12-9 (retrieved 2024-05-19) (CAS RN: 142778-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)21-17-22(31)25-28(21,6)15-16-29(7)20-9-10-23-26(3,4)24(32)12-13-27(23,5)19(20)11-14-30(25,29)8/h11,18,20-25,31-32H,9-10,12-17H2,1-8H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1

InChIKey

InChIKey=SEUSNJUQUVUXAA-ZRBXTNFGSA-N

SMILES

C[C@@]12[C@](C)([C@]3(C(=CC1)[C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](O)CC4)[H])[H])CC[C@]5(C)[C@@]2([C@H](O)C[C@H]5[C@@H](C)C)[H]

Canonical SMILES

OC1CC(C(C)C)C2(C)CCC3(C)C4C(=CCC3(C)C12)C5(C)CCC(O)C(C)(C)C5CC4

Other Names for this Substance

  • A′-Neo-26,28-dinorgammacer-9(11)-ene-3,19-diol, 13,17-dimethyl-, (3β,19α,21β)-
  • D:C-Friedo-B′:A′-neogammacer-9(11)-ene-3,19-diol, (3β,8β,13β,14α,17β,18α,19α,21β)-
  • (3β,19α,21β)-13,17-Dimethyl-A′-neo-26,28-dinorgammacer-9(11)-ene-3,19-diol
  • Rubiarbonol K

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