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Substance Name: Meliantriol
RN: 25278-95-9
InChIKey: IKJQENAHDRKFKL-DOXXCBKDSA-N

Molecular Formula

  • C30-H50-O5

Molecular Weight

  • 490.72
 
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Names and Synonyms

Results Name

  • Meliantriol

Synonyms

  • 17betaH-Lanost-7-ene-3beta,21,24,25-tetrol, 21,23-epoxy-
  • Meliantriol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25278-95-9

Other Registry Number

  • 17991-48-9

System Generated Number

  • 0025278959

Structure Descriptors

InChI

1S/C30H50O5/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/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19-,21+,22?,23-,24-,25+,28+,29-,30+/m0/s1

InChIKey

IKJQENAHDRKFKL-DOXXCBKDSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC=C3[C@@]4(C)CC[C@@H]([C@@H]5C[C@H]([C@@H](C(C)(C)O)O)O[C@H]5O)[C@]4(C)CC[C@H]3[C@@]2(C1)C)O