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Substance Name: beta-Sitosterone
RN: 51529-11-4
InChIKey: KYOFIJXMVNQYFC-XJZKHKOHSA-N

Note

  • From Torreya jackii.

Molecular Formula

  • C29-H48-O

Molecular Weight

  • 412.6972
 
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Names and Synonyms

Name of Substance

  • beta-Sitosterone

Systematic Name

  • Stigmast-5-en-3-one

Registry Numbers

CAS Registry Number

  • 51529-11-4

System Generated Number

  • 0051529114

Structure Descriptors

InChI

1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey

KYOFIJXMVNQYFC-XJZKHKOHSA-N

Smiles

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C)C(C)C