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Substance Name: Hebevinoside III
RN: 89203-39-4
InChIKey: ZSGIZQTTWRMUOQ-ONRVDQHZSA-N

Molecular Formula

  • C43-H70-O13

Molecular Weight

  • 795.013
 
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Names and Synonyms

Results Name

  • Hebevinoside III

Synonym

  • Hebevinoside III

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89203-39-4

System Generated Number

  • 0089203394

Structure Descriptors

InChI

1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-36(51)34(49)33(48)29(55-39)20-52-23(4)44)18-43(9)37-26(45)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-35(50)32(47)27(46)19-53-38/h11,17,22,24,26-39,45-51H,10,12-16,18-20H2,1-9H3/t22-,24+,26-,27-,28-,29-,30?,31+,32+,33-,34-,35-,36-,37?,38+,39-,41-,42-,43+/m1/s1

InChIKey

ZSGIZQTTWRMUOQ-ONRVDQHZSA-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)O)C