12-Deoxyphorbol 13-phenylacetate

CAS Registry Number®

58821-98-0
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CAS Name

12-Deoxyphorbol 13-phenylacetate

Molecular Formula

C28H34O6

Molecular Mass

466.57

Cite this Page

12-Deoxyphorbol 13-phenylacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58821-98-0 (retrieved 2024-09-20) (CAS RN: 58821-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3/t17-,20+,21-,23-,26-,27+,28-/m1/s1

InChIKey

InChIKey=JAMGGIDPOXFRAM-XASYBOBESA-N

SMILES

O(C(CC1=CC=CC=C1)=O)[C@@]23[C@@](C2(C)C)([C@]4([C@](O)([C@H](C)C3)[C@]5([C@](O)(CC(CO)=C4)C(=O)C(C)=C5)[H])[H])[H]

Canonical SMILES

O=C(OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(=CC43)C)C1C2(C)C)CC=5C=CC=CC5

Other Names for this Substance

  • Benzeneacetic acid, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
  • Benzeneacetic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9aα)]-
  • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, benzeneacetic acid deriv.
  • 12-Deoxy-4β-hydroxyphorbol 13-phenylacetate
  • 12-Deoxyphorbol 13-phenylacetate

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Deleted or Replaced CAS Registry Numbers

126320-74-9, 138921-25-2