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Substance Name: Pokeberrygenin
RN: 75206-90-5
InChIKey: XINANDRKNJRDBH-KSJJSBHMSA-N

Molecular Formula

  • C31-H48-O6

Molecular Weight

  • 516.714
 
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Names and Synonyms

Results Name

  • Pokeberrygenin

Synonym

  • Pokeberrygenin

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 2,3-dihydroxy-, 29-methyl ester, (2beta,3beta,20beta)-

Registry Numbers

CAS Registry Number

  • 75206-90-5

System Generated Number

  • 0075206905

Structure Descriptors

InChI

1S/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)/t19-,20+,21?,22-,23+,27-,28+,29-,30-,31+/m1/s1

InChIKey

XINANDRKNJRDBH-KSJJSBHMSA-N

Smiles

C1[C@@H]([C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@](C)(C(=O)OC)C[C@H]5C4=CC[C@H]3[C@@]12C)O)O