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Substance Name: Presqualene pyrophosphate
RN: 29849-75-0
InChIKey: ATZKAUGGNMSCCY-VVFNRDJMSA-N

Molecular Formula

  • C30-H52-O7-P2

Molecular Weight

  • 586.6818
 
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Names and Synonyms

Name of Substance

  • Presqualene pyrophosphate

Synonym

  • Presqualene diphosphate

Systematic Name

  • Diphosphoric acid, mono((2-(4,8-dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropyl)methyl) ester, (1alpha,2beta(E),3beta(1E,5E))-

Registry Numbers

CAS Registry Number

  • 29849-75-0

System Generated Number

  • 0029849750

Structure Descriptors

InChI

1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m1/s1

InChIKey

ATZKAUGGNMSCCY-VVFNRDJMSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)C