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Substance Name: Sitoindoside II
RN: 53657-29-7
InChIKey: MEEONOMPSMYAQO-JXJRCNQOSA-N

Note

  • From Dirca occidentalis Gray.

Molecular Formula

  • C53-H92-O7

Molecular Weight

  • 841.303
 
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Names and Synonyms

Name of Substance

  • Sitoindoside II

Synonym

  • beta-Sitosterol 3-O-(6-O-oleoyl)-beta-D-glucopyranoside

Systematic Name

  • beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl, 6-(9-octadecenoate), (Z)-

Registry Numbers

CAS Registry Number

  • 53657-29-7

System Generated Number

  • 0053657297

Structure Descriptors

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

MEEONOMPSMYAQO-JXJRCNQOSA-N

Smiles

C(\CCCCCCCC)=C/CCCCCCCC(OC[C@@H]1[C@H]([C@@H]([C@@H](O)[C@@H](O1)O[C@H]1CC[C@@]2(C(C1)=CC[C@@H]1[C@@H]2CC[C@@]2([C@H]1CC[C@@H]2[C@@H](CC[C@@H](C(C)C)CC)C)C)C)O)O)=O