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Substance Name: Hebevinoside II
RN: 89456-98-4
InChIKey: RKJPAJOYCCHXQX-OLZOPSFVSA-N

Molecular Formula

  • C45-H72-O14

Molecular Weight

  • 837.05
 
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Names and Synonyms

Results Name

  • Hebevinoside II

Synonym

  • Hebevinoside II

Systematic Name

  • beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-3-((4-O-acetyl-beta-D-xylopyranosyl)oxy)-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 6-acetate

Registry Numbers

CAS Registry Number

  • 89456-98-4

System Generated Number

  • 0089456984

Structure Descriptors

InChI

1S/C45H72O14/c1-22(2)12-11-13-23(3)33-29(57-41-38(53)36(51)34(49)31(58-41)20-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-37(52)35(50)30(21-55-40)56-25(5)47/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3/t23-,26+,28-,29+,30-,31-,32?,33+,34-,35+,36+,37-,38-,39?,40+,41-,43+,44-,45+/m1/s1

InChIKey

RKJPAJOYCCHXQX-OLZOPSFVSA-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](OC(=O)C)CO1)(C)C)O)C