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Substance Name: Embeliagenin
RN: 52591-17-0
InChIKey: ZHNBJKRWDCFQQM-LXPNERKTSA-N

Note

  • Triterpene from stems & leaves of Embelia concinna Bak. (Myrsinacees) (pentacyclic).

Molecular Formula

  • C30-H50-O4

Molecular Weight

  • 474.721
 
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Names and Synonyms

Name of Substance

  • Embeliagenin

Systematic Name

  • Olean-12-ene-3,16,21,29-tetrol, (3beta,16beta,21beta)-

Registry Numbers

CAS Registry Number

  • 52591-17-0

System Generated Number

  • 0052591170

Structure Descriptors

InChI

1S/C30H50O4/c1-25(2)20-10-13-29(6)21(27(20,4)12-11-22(25)32)9-8-18-19-14-26(3,17-31)23(33)15-28(19,5)24(34)16-30(18,29)7/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+/m0/s1

InChIKey

ZHNBJKRWDCFQQM-LXPNERKTSA-N

Smiles

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5C[C@](C)(CO)[C@@H](O)C[C@]5(C)[C@@H](O)C[C@@]34C