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Substance Name: (3S,8R,9R,10S,13R,14R,17R)-17-((R)-1,5-Dimethyl-4-methylene-hexyl)-10-hydroxymethyl-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol
RN: 126026-57-1
InChIKey: WOOKNJANWWBKHW-CGMUPKQHSA-N

Molecular Formula

  • C28-H46-O2

Molecular Weight

  • 414.6694
 
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Names and Synonyms

Synonym

  • Litosterol

Systematic Name

  • (3S,8R,9R,10S,13R,14R,17R)-17-((R)-1,5-Dimethyl-4-methylene-hexyl)-10-hydroxymethyl-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol

Registry Numbers

CAS Registry Number

  • 126026-57-1

System Generated Number

  • 0126026571

Structure Descriptors

InChI

1S/C28H46O2/c1-18(2)19(3)6-7-20(4)24-10-11-25-23-9-8-21-16-22(30)12-15-28(21,17-29)26(23)13-14-27(24,25)5/h8,18,20,22-26,29-30H,3,6-7,9-17H2,1-2,4-5H3/t20-,22+,23-,24-,25-,26-,27-,28-/m1/s1

InChIKey

WOOKNJANWWBKHW-CGMUPKQHSA-N

Smiles

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