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Substance Name: 3-Hydroxydiploptene
RN: 4966-00-1
InChIKey: VWYANPOOORUCFJ-MDKQJYPSSA-N

Note

  • Biosynthesized from squalene or epoxy dihydrosqualene in cell-free system from Methylococcus capsulatus.

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxydiploptene

Synonym

  • Fernenol

Systematic Name

  • D:C-Friedo-B':A'-neogammacer-9(11)-en-3-ol, (3beta)-

Registry Numbers

CAS Registry Number

  • 4966-00-1

System Generated Number

  • 0004966001

Structure Descriptors

InChI

1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22?,23?,24?,25+,27-,28-,29-,30+/m1/s1

InChIKey

VWYANPOOORUCFJ-MDKQJYPSSA-N

Smiles

C1=2[C@@]3([C@@H](C(C)(C)[C@H](CC3)O)CC[C@@H]1[C@@]1(CC[C@@]3([C@@H]([C@@]1(CC2)C)CC[C@@H]3C(C)C)C)C)C