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Substance Name: Hebevinoside XI
RN: 101365-13-3
InChIKey: BDIZCZITXGMZCF-VLBBCCKOSA-N

Molecular Formula

  • C46-H74-O14

Molecular Weight

  • 851.077
 
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Names and Synonyms

Results Name

  • Hebevinoside XI

Synonym

  • Hebevinoside XI

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, 4,6-diacetate

Registry Numbers

CAS Registry Number

  • 101365-13-3

System Generated Number

  • 0101365133

Structure Descriptors

InChI

1S/C46H74O14/c1-23(2)13-12-14-24(3)34-31(58-42-38(53)36(51)39(57-26(5)48)32(59-42)22-55-25(4)47)20-46(10)40-30(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-37(52)35(50)29(49)21-56-41/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3/t24-,27+,29-,30-,31+,32-,33?,34+,35+,36+,37-,38-,39-,40?,41+,42-,44+,45-,46+/m1/s1

InChIKey

BDIZCZITXGMZCF-VLBBCCKOSA-N

Smiles

O([C@H]1[C@H](O)[C@H](O)[C@@H]([C@H](O1)COC(C)=O)OC(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