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Substance Name: Itesmol
RN: 51771-53-0
InChIKey: YCZQDKIUGZGCAN-JDVKSECFSA-N

Note

  • Isolated from a cactus indigenous to Mexico (Thelocactus bicolor).

Molecular Weight

  • 430.712
 
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Names and Synonyms

Name of Substance

  • Itesmol

Systematic Name

  • Stigmast-5-ene-3,22-diol

Registry Numbers

CAS Registry Number

  • 51771-53-0

Other Registry Number

  • 11055-19-9

System Generated Number

  • 0051771530

Structure Descriptors

InChI

1S/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1

InChIKey

YCZQDKIUGZGCAN-JDVKSECFSA-N

Smiles

CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C