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Substance Name: Hebevinoside I
RN: 87396-30-3
InChIKey: PEVRNEDRRNBORS-DXOZOBJKSA-N

Molecular Weight

  • 809.04
 
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Names and Synonyms

Results Name

  • Hebevinoside I

Synonym

  • Hebevinoside I

Systematic Name

  • beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7-methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 6-acetate

Registry Numbers

CAS Registry Number

  • 87396-30-3

Other Registry Number

  • 89203-38-3

System Generated Number

  • 0087396303

Structure Descriptors

InChI

1S/C44H72O13/c1-22(2)12-11-13-23(3)32-29(55-40-37(51)35(49)34(48)30(56-40)21-53-24(4)45)19-44(9)38-28(52-10)18-26-25(42(38,7)16-17-43(32,44)8)14-15-31(41(26,5)6)57-39-36(50)33(47)27(46)20-54-39/h12,18,23,25,27-40,46-51H,11,13-17,19-21H2,1-10H3/t23-,25+,27-,28-,29-,30-,31?,32+,33+,34-,35+,36-,37-,38?,39+,40-,42-,43-,44+/m1/s1

InChIKey

PEVRNEDRRNBORS-DXOZOBJKSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(C)=O)[C@@H]1C[C@@]2([C@@H]3[C@@H](C=C4C([C@@H](CC[C@H]4[C@@]3(CC[C@@]2([C@H]1[C@@H](CC\C=C(\C)C)C)C)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1)(C)C)OC)C