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Substance Name: Roxburghiadiol A
RN: 103629-94-3
InChIKey: FLFAKBJFVNSCHC-HFOFPBCXSA-N

Molecular Formula

  • C29-H48-O2

Molecular Weight

  • 428.696
 
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Names and Synonyms

Name of Substance

  • Roxburghiadiol A

Synonyms

  • 4-Bisnormethyl-24-methylenecycloarta-3,6-diol
  • Roxburghiadiol B

Systematic Name

  • 9,19-Cycloergost-24(28)-ene-3,6-diol, 14-methyl-, (3beta,5alpha,6alpha)-

Registry Numbers

CAS Registry Number

  • 103629-94-3

System Generated Number

  • 0103629943

Structure Descriptors

InChI

1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1

InChIKey

FLFAKBJFVNSCHC-HFOFPBCXSA-N

Smiles

O[C@H]1CC[C@@]23[C@@]4([C@@H](C[C@@H]([C@@H]3C1)O)[C@@]1(CC[C@@H]([C@@]1(C)CC4)[C@H](C)CCC(C(C)C)=C)C)C2