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Substance Name: 3-O-Tetradecanoylingenol
RN: 83036-62-8
InChIKey: BGJQCVCRJRMOGD-XZIFVCQGSA-N

Molecular Formula

  • C34-H54-O6

Molecular Weight

  • 560.81
 
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Names and Synonyms

Results Name

  • 3-O-Tetradecanoylingenol

Synonym

  • 3-O-Tetradecanoylingenol

Systematic Name

  • Tetradecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 83036-62-8

Other Registry Numbers

  • 187473-47-8
  • 88262-94-6

System Generated Number

  • 0083036628

Structure Descriptors

InChI

1S/C34H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)40-31-22(2)20-33-23(3)18-26-28(32(26,4)5)25(30(33)38)19-24(21-35)29(37)34(31,33)39/h20,23-26,28-29,31,35,37,39H,6-19,21H2,1-5H3/t23-,24?,25+,26?,28+,29-,31+,33+,34+/m1/s1

InChIKey

BGJQCVCRJRMOGD-XZIFVCQGSA-N

Smiles

C1(=C[C@@]23C([C@@H](C[C@@H](CO)[C@H]([C@@]3([C@H]1OC(=O)CCCCCCCCCCCCC)O)O)[C@@H]1C(C)(C)[C@@H]1C[C@H]2C)=O)C