12-Deoxyphorbol 13-phenylacetate 20-acetate

CAS Registry Number®

54662-30-5

CAS Name

12-Deoxyphorbol 13-phenylacetate 20-acetate

Molecular Formula

C30H36O7

Molecular Mass

508.60

Cite this Page

12-Deoxyphorbol 13-phenylacetate 20-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54662-30-5 (retrieved 2024-11-22) (CAS RN: 54662-30-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H36O7/c1-17-11-23-28(34,26(17)33)15-21(16-36-19(3)31)12-22-25-27(4,5)29(25,14-18(2)30(22,23)35)37-24(32)13-20-9-7-6-8-10-20/h6-12,18,22-23,25,34-35H,13-16H2,1-5H3/t18-,22+,23-,25-,28-,29+,30-/m1/s1

InChIKey

InChIKey=MEDVHSNRBPAIPU-XMOZQXTISA-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(COC(C)=O)=C4)C(=O)C(C)=C5)[H])[H])[H]

Canonical SMILES

O=C(OCC1=CC2C3C(OC(=O)CC=4C=CC=CC4)(CC(C)C2(O)C5C=C(C(=O)C5(O)C1)C)C3(C)C)C

Other Names for this Substance

  • Benzeneacetic acid, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
  • Benzeneacetic acid, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-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-Deoxyphorbol 13-phenylacetate 20-acetate
  • 12-Deoxy-4β-hydroxyphorbol 13-phenylacetate 20-acetate

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Deleted or Replaced CAS Registry Numbers

138921-26-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration