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Substance Name: 3-O-(6'-O-Palmitoylglucosyl)stigmasta-5,25(27)-diene
RN: 123564-57-8
InChIKey: FLNRGRHFRBLUIT-SLOCDVDJSA-N

Note

  • Antimutagen from Momordica charantia.

Molecular Formula

  • C51-H88-O7

Molecular Weight

  • 813.249
 
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Names and Synonyms

Name of Substance

  • 3-O-(6'-O-Palmitoylglucosyl)stigmasta-5,25(27)-diene

Synonyms

  • 3-O-(6'-O-Palmitoyl-beta-D-glucosyl)stigmasta-5,25(27)-dien
  • 3-Pgsgd

Systematic Name

  • beta-D-Glucopyranoside, (3beta,24S)-stigmasta-5,25-dien-3-yl, 6-hexadecanoate

Registry Numbers

CAS Registry Number

  • 123564-57-8

System Generated Number

  • 0123564578

Structure Descriptors

InChI

1S/C51H88O7/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/h25,36-37,39-44,46-49,53-55H,3,8-24,26-34H2,1-2,4-7H3/t36-,37+,39?,40?,41-,42?,43?,44-,46-,47+,48-,49-,50+,51-/m1/s1

InChIKey

FLNRGRHFRBLUIT-SLOCDVDJSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(CCCCCCCCCCCCCCC)=O)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC=C2C1)[C@@H](CC[C@H](CC)C(=C)C)C)C)C