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Substance Name: Sitoindoside X
RN: 119812-43-0
InChIKey: AGNOSYRBHQJIEE-UHFFFAOYSA-N

Molecular Formula

  • C50-H78-O12

Molecular Weight

  • 871.154
 
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Names and Synonyms

Results Name

  • Sitoindoside X

Synonym

  • Sitoindoside X

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119812-43-0

System Generated Number

  • 0119812430

Structure Descriptors

InChI

1S/C50H78O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-42(53)58-29-38-43(54)44(55)45(56)47(61-38)59-28-33-30(2)26-37(60-46(33)57)31(3)34-20-21-35-32-27-41-50(62-41)40(52)23-22-39(51)49(50,5)36(32)24-25-48(34,35)4/h22-23,31-32,34-38,40-41,43-45,47,52,54-56H,6-21,24-29H2,1-5H3

InChIKey

AGNOSYRBHQJIEE-UHFFFAOYSA-N

Smiles

C1=C[C@@H](O)[C@@]23[C@@H](C[C@@H]4[C@@H]([C@@]2(C1=O)C)CC[C@@]1([C@@H]4CC[C@@H]1[C@@H](C)[C@@H]1CC(C)=C(CO[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)O)O)COC(=O)CCCCCCCCCCCCCCC)C(=O)O1)C)O3