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Substance Name: (3beta)-Stigmast-5-en-3-yl benzoate
RN: 1900-52-3
InChIKey: WFQRUMHMFCGSRO-XKKOIZAZSA-N

Molecular Formula

  • C36-H54-O2

Molecular Weight

  • 518.821
 
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Names and Synonyms

Synonym

  • EINECS 217-597-0

Systematic Name

  • (3beta)-Stigmast-5-en-3-yl benzoate

Registry Numbers

CAS Registry Number

  • 1900-52-3

System Generated Number

  • 0001900523

Structure Descriptors

InChI

1S/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3/t25-,26-,29+,30+,31-,32+,33+,35+,36-/m1/s1

InChIKey

WFQRUMHMFCGSRO-XKKOIZAZSA-N

Smiles

C=12C[C@@H](OC(=O)c3ccccc3)CC[C@]2(C)[C@H]2CC[C@@]3([C@H](CC[C@@H]3[C@@H]2CC1)[C@@H](CC[C@H](C(C)C)CC)C)C