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Substance Name: Rubiatriol
RN: 107694-02-0
InChIKey: PZBGHZIQCYOWLL-GJOOHKEJSA-N

Molecular Formula

  • C30-H50-O3

Molecular Weight

  • 458.722
 
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Names and Synonyms

Results Name

  • Rubiatriol

Synonym

  • Rubiatriol

Systematic Names

  • A'-Neo-26,28-dinorgammacer-9(11)-ene-3,7,19-triol, 13,17-dimethyl-, (3beta,7alpha,8alpha,13alpha,14beta,17alpha,18beta,19alpha)-
  • D:C-Friedo-B':A'-neogammacer-9(11)-ene-3,7,19-triol, (3beta,7alpha,19alpha)-

Registry Numbers

CAS Registry Number

  • 107694-02-0

System Generated Number

  • 0107694020

Structure Descriptors

InChI

1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1

InChIKey

PZBGHZIQCYOWLL-GJOOHKEJSA-N

Smiles

CC(C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@]3(C)[C@H]4[C@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]23C