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Substance Name: Melianodiol
RN: 32764-64-0
InChIKey: AOVNJUKMQOLLCG-STEPOWRLSA-N

Note

  • From stem of Raulinoa echinata Cowan (Rutoideae).

Molecular Formula

  • C30-H48-O5

Molecular Weight

  • 488.7042
 
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Names and Synonyms

Results Name

  • Melianodiol

Systematic Name

  • Lanost-7-en-3-one, 21,23-epoxy-21,24,25-trihydroxy-, (13alpha,14beta,17alpha,20S,21R,23R,24S)-

Registry Numbers

CAS Registry Number

  • 32764-64-0

Other Registry Number

  • 17991-50-3

System Generated Number

  • 0032764640

Structure Descriptors

InChI

1S/C30H48O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-22,24-25,32-34H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,24-,25+,28+,29-,30+/m0/s1

InChIKey

AOVNJUKMQOLLCG-STEPOWRLSA-N

Smiles

CC(C)(O)[C@@H](O)[C@H]1C[C@H]([C@H](O)O1)[C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C