Sitoindoside I

CAS Registry Number®

18749-71-8
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CAS Name

Sitoindoside I

Molecular Formula

C51H90O7

Molecular Mass

815.26

Cite this Page

Sitoindoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18749-71-8 (retrieved 2024-05-13) (CAS RN: 18749-71-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1

InChIKey

InChIKey=JCLYMCVRBRHEHI-TWDDPRSNSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@H](C(C)C)CC)C)(CC4)[H])[H])(CC=C1C[C@@H](O[C@@H]5O[C@H](COC(CCCCCCCCCCCCCCC)=O)[C@@H](O)[C@H](O)[C@H]5O)CC2)[H])[H]

Canonical SMILES

O=C(OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O)CCCCCCCCCCCCCCC

Other Names for this Substance

  • β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl, 6-hexadecanoate
  • Stigmast-5-en-3β-ol, β-D-glucopyranoside, 6′-palmitate
  • Palmitic acid, ester with β-sitosterol glucoside
  • Stigmastane, β-D-glucopyranoside deriv.
  • β-Sitosteryl-β-D-glucoside-6-monopalmitate

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Deleted or Replaced CAS Registry Numbers

2172974-57-9

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