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Substance Name: Stemphone
RN: 54854-92-1
InChIKey: CGFWCZMBHASRBJ-CCZFOCGKSA-N

Molecular Weight

  • 530.654
 
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Names and Synonyms

Name of Substance

  • Stemphone

Systematic Name

  • Cochlioquinone A, 21,22-didehydro-, (21E)-

Registry Numbers

CAS Registry Number

  • 54854-92-1

System Generated Number

  • 0054854921

Structure Descriptors

InChI

1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1

InChIKey

CGFWCZMBHASRBJ-CCZFOCGKSA-N

Smiles

C1[C@@H]2[C@@]([C@H]3[C@@H](C=4C(C=C(C(C4O[C@@]3(C1)C)=O)[C@@H]([C@@H](\C(=C\C)C)OC(=O)C)C)=O)O)(CC[C@@H](O2)C(C)(C)O)C