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Substance Name: alpha-Elemolic acid
RN: 28282-27-1
InChIKey: NBSBUIQBEPROBM-IMJUUJEHSA-N

Molecular Weight

  • 456.7062
 
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Names and Synonyms

  • 3-Hydroxytirucallic acid
  • 3alpha-Hydroxytirucalla-8,24-dien-21-oic acid
  • 3alpha-Hydroxytirucallenoic acid
  • alpha-Elemolic acid

Registry Numbers

CAS Registry Number

  • 28282-27-1

System Generated Number

  • 0028282271

Structure Descriptors

InChI

1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1

InChIKey

NBSBUIQBEPROBM-IMJUUJEHSA-N

Smiles

C1[C@H](C(C)(C)[C@@H]2CCC=3[C@@]4(C)CC[C@@H]([C@H](CC\C=C(\C)C)C(=O)O)[C@]4(C)CCC3[C@@]2(C1)C)O