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Substance Name: 23-Epidihydrocalysterol
RN: 132438-14-3
InChIKey: GOZWAAJAKSAXBZ-YNKWLIIASA-N

Note

  • A new cyclopropane-containing sterol from sponge, Cribrochalina vasculum.

Molecular Formula

  • C29-H48-O

Molecular Weight

  • 412.6972
 
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Names and Synonyms

Name of Substance

  • 23-Epidihydrocalysterol

Systematic Name

  • Pregn-5-en-3-ol, 20-methyl-21-(2-methyl-3-(1-methylethyl)cyclopropyl)-, (3beta,20R,21(1R,2R,3S))-

Registry Numbers

CAS Registry Number

  • 132438-14-3

System Generated Number

  • 0132438143

Structure Descriptors

InChI

1S/C29H48O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-19,21-27,30H,8-16H2,1-6H3/t18-,19-,21+,22+,23-,24-,25+,26+,27+,28+,29-/m1/s1

InChIKey

GOZWAAJAKSAXBZ-YNKWLIIASA-N

Smiles

C[C@@H]1[C@H]([C@H]1C(C)C)C[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C