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Substance Name: Stigmasterol acetate
RN: 4651-48-3
UNII: P5M1K7SCX9
InChIKey: IZEUIYYDWBKERE-ZRODXFKISA-N

Molecular Formula

  • C31-H50-O2

Molecular Weight

  • 454.734
 
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Names and Synonyms

Name of Substance

  • Stigmasterol acetate

Synonyms

  • EINECS 225-082-7
  • UNII-P5M1K7SCX9

Systematic Name

  • Stigmasta-5,22-dien-3-beta-yl acetate

Registry Numbers

CAS Registry Number

  • 4651-48-3

FDA UNII

  • P5M1K7SCX9

System Generated Number

  • 0004651483

Structure Descriptors

InChI

1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

InChIKey

IZEUIYYDWBKERE-ZRODXFKISA-N

Smiles

C=12C[C@@H](OC(=O)C)CC[C@]2(C)[C@H]2CC[C@@]3([C@H](CC[C@@H]3[C@@H]2CC1)[C@@H](\C=C\[C@H](C(C)C)CC)C)C