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Substance Name: Sitoindoside IV
RN: 98941-86-7
InChIKey: IWPRSBXDWFAINE-UHFFFAOYSA-N

Note

  • Isolated from Musa paradisiaca.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C57-H100-O12

Molecular Weight

  • 977.405
 
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Names and Synonyms

Name of Substance

  • Sitoindoside IV

Synonyms

  • Sitoindoside IV
  • Sitosterol 3-(2''-O-palmitoyl-myo-inosityl-(1''-6'))-beta-D-glucopyranoside

Systematic Names

  • beta-D-Glucopyranoside, (3-beta)-stigmast-5-en-3-yl 6-O-(2,3,4,5-tetrahydroxy-6-((1-oxohexadecyl)oxy)cyclohexyl)-, (1S-(1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-alpha))-
  • beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl 6-O-(2,3,4,5-tetrahydroxy-6-((1-oxohexadecyl)oxy)cyclohexyl)-, (1S-(1alpha,2beta,3alpha,4beta,5alpha,6alpha))-

Registry Numbers

CAS Registry Number

  • 98941-86-7

System Generated Number

  • 0098941867

Structure Descriptors

InChI

1S/C57H100O12/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(58)69-54-51(64)49(62)48(61)50(63)53(54)66-34-44-46(59)47(60)52(65)55(68-44)67-39-29-31-56(6)38(33-39)25-26-40-42-28-27-41(57(42,7)32-30-43(40)56)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-55,59-65H,8-24,26-34H2,1-7H3

InChIKey

IWPRSBXDWFAINE-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCC)CC(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]([C@@H]1OC[C@@H]1[C@@H](O)[C@@H]([C@@H]([C@@H](O1)O[C@@H]1CC=2[C@@](CC1)([C@@H]1[C@@H](CC2)[C@@H]2[C@@](CC1)([C@@H](CC2)[C@@H](CC[C@@H](C(C)C)CC)C)C)C)O)O)O)=O