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

CAS Registry Number®

142778-13-0

CAS Name

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

Molecular Formula

C30H50O3

Molecular Mass

458.72

Cite this Page

(3β,19α,21β)-17-(Hydroxymethyl)-13-methyl-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=142778-13-0 (retrieved 2024-12-23) (CAS RN: 142778-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H50O3/c1-18(2)21-16-22(32)25-29(7)13-10-19-20(28(29,6)14-15-30(21,25)17-31)8-9-23-26(3,4)24(33)11-12-27(19,23)5/h10,18,20-25,31-33H,8-9,11-17H2,1-7H3/t20-,21+,22-,23+,24+,25-,27-,28+,29-,30-/m1/s1

InChIKey

InChIKey=DKVGZFGCLJVLKK-YXAPDXBNSA-N

SMILES

C(O)[C@]12[C@@]([C@]3(C)[C@@](C)(CC1)[C@]4(C(=CC3)[C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])([C@H](O)C[C@H]2C(C)C)[H]

Canonical SMILES

OCC12CCC3(C)C4C(=CCC3(C)C2C(O)CC1C(C)C)C5(C)CCC(O)C(C)(C)C5CC4

Other Names for this Substance

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

CAS INSIGHTSTM
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