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Substance Name: Sitoindoside IX
RN: 118853-45-5
InChIKey: WKCJIGSUKSPCKI-WNXUODGFSA-N

Note

  • Isolated from Withania sommnifera.

Molecular Formula

  • C34-H48-O11

Molecular Weight

  • 632.742
 
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Names and Synonyms

Results Name

  • Sitoindoside IX

Synonym

  • Sitoindoside IX

Systematic Name

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-27-(beta-D-glucopyranosyloxy)-4,22-dihydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-

Registry Numbers

CAS Registry Number

  • 118853-45-5

System Generated Number

  • 0118853455

Structure Descriptors

InChI

1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1

InChIKey

WKCJIGSUKSPCKI-WNXUODGFSA-N

Smiles

C1=C[C@H](O)[C@]23[C@@]([C@H]4CC[C@@]5([C@H]([C@@H]4C[C@@H]2O3)CC[C@@H]5[C@H](C)[C@H]2CC(=C(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O2)C)C)(C)C1=O