Sitoindoside II

CAS Registry Number®

53657-29-7
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CAS Name

Sitoindoside II

Molecular Formula

C53H92O7

Molecular Mass

841.29

Cite this Page

Sitoindoside II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53657-29-7 (retrieved 2024-09-20) (CAS RN: 53657-29-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16-/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1

InChIKey

InChIKey=MEEONOMPSMYAQO-MBEOCFQISA-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(CCCCCCC/C=C\CCCCCCCC)=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)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl, 6-(9Z)-9-octadecenoate
  • β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl, 6-(9-octadecenoate), (Z)-
  • Stigmastane, β-D-glucopyranoside deriv.
  • Sitoindoside II