(3β,11α,19α,21β)-3,11,19-Trihydroxy-17-(hydroxymethyl)-13-methyl-A′-neo-26,28-dinorgammacer-8-en-7-one

CAS Registry Number®

1338922-43-2
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CAS Name

(3β,11α,19α,21β)-3,11,19-Trihydroxy-17-(hydroxymethyl)-13-methyl-A′-neo-26,28-dinorgammacer-8-en-7-one

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

(3β,11α,19α,21β)-3,11,19-Trihydroxy-17-(hydroxymethyl)-13-methyl-A′-neo-26,28-dinorgammacer-8-en-7-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1338922-43-2 (retrieved 2024-05-19) (CAS RN: 1338922-43-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-16(2)17-12-19(33)25-29(7)14-20(34)23-24(28(29,6)10-11-30(17,25)15-31)18(32)13-21-26(3,4)22(35)8-9-27(21,23)5/h16-17,19-22,25,31,33-35H,8-15H2,1-7H3/t17-,19+,20+,21-,22-,25+,27-,28-,29+,30+/m0/s1

InChIKey

InChIKey=HJCQEFXCUBGQOE-RWPYJWJNSA-N

SMILES

C(O)[C@]12[C@@]([C@]3(C)[C@@](C)(CC1)C4=C([C@H](O)C3)[C@]5(C)[C@@](CC4=O)(C(C)(C)[C@@H](O)CC5)[H])([C@H](O)C[C@H]2[C@@H](C)C)[H]

Canonical SMILES

O=C1C2=C(C(O)CC3(C)C4C(O)CC(C(C)C)C4(CO)CCC23C)C5(C)CCC(O)C(C)(C)C5C1

Other Names for this Substance

  • A′-Neo-26,28-dinorgammacer-8-en-7-one, 3,11,19-trihydroxy-17-(hydroxymethyl)-13-methyl-, (3β,11α,19α,21β)-
  • (3β,11α,19α,21β)-3,11,19-Trihydroxy-17-(hydroxymethyl)-13-methyl-A′-neo-26,28-dinorgammacer-8-en-7-one
  • Rubiyunnanol C

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