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Substance Name: 12-Deoxyphorbol-13-phenylacetate-20-(4-acetoxybenzoate)
RN: 74513-83-0
InChIKey: FUZGEPIRBOYVAM-ZWDWUSHESA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C37-H40-O9

Molecular Weight

  • 628.714
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol-13-phenylacetate-20-(4-acetoxybenzoate)

Synonym

  • 12-Deoxyphorbol-13-phenylacetate-20-(4-acetoxybenzoate)

Systematic Name

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-(4-acetoxybenzoate) 9a-phenylacetate

Registry Numbers

CAS Registry Number

  • 74513-83-0

System Generated Number

  • 0074513830

Structure Descriptors

InChI

1S/C37H40O9/c1-21-15-29-35(42,32(21)40)19-25(20-44-33(41)26-11-13-27(14-12-26)45-23(3)38)16-28-31-34(4,5)36(31,18-22(2)37(28,29)43)46-30(39)17-24-9-7-6-8-10-24/h6-16,22,28-29,31,42-43H,17-20H2,1-5H3/t22-,28+,29-,31-,35-,36+,37-/m1/s1

InChIKey

FUZGEPIRBOYVAM-ZWDWUSHESA-N

Smiles

C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(=O)c5ccc(cc5)OC(=O)C)O)C)O)OC(=O)Cc6ccccc6