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Substance Name: Calysterol
RN: 57331-04-1
InChIKey: CPOLWWXFYSOOCH-QEEZHLEVSA-N

Note

  • Principle sterol component of sponge Calyx niceaensis.

Molecular Formula

  • C29-H46-O

Molecular Weight

  • 410.6814
 
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Names and Synonyms

Name of Substance

  • Calysterol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57331-04-1

System Generated Number

  • 0057331041

Structure Descriptors

InChI

1S/C29H46O/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/h7,17-19,21-22,24-26,30H,8-16H2,1-6H3/t18-,19+,21+,22+,24-,25+,26+,28+,29-/m1/s1

InChIKey

CPOLWWXFYSOOCH-QEEZHLEVSA-N

Smiles

CC(C)C1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1C