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Substance Name: Phorbol diacetate
RN: 29593-65-5
InChIKey: VCQRVYCLJARKLE-XQOWHXTBSA-N

Molecular Formula

  • C24-H32-O8

Molecular Weight

  • 448.5088
 
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Names and Synonyms

Results Name

  • Phorbol diacetate

Synonym

  • Phorbol diacetate

Systematic Name

  • 5H-Cyclopropa(3,4)benz(1,2-c)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, diacetate, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-

Registry Numbers

CAS Registry Number

  • 29593-65-5

System Generated Number

  • 0029593655

Structure Descriptors

InChI

1S/C24H32O8/c1-11-7-17-22(29,19(11)27)9-15(10-31-13(3)25)8-16-18-21(5,6)24(18,32-14(4)26)20(28)12(2)23(16,17)30/h7-8,12,16-18,20,28-30H,9-10H2,1-6H3/t12-,16+,17-,18-,20-,22-,23-,24-/m1/s1

InChIKey

VCQRVYCLJARKLE-XQOWHXTBSA-N

Smiles

C[C@@H]1[C@@H](O)[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(COC(=O)C)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C