Phorbol 12,13-dibenzoate
CAS Registry Number®
25405-85-0
No image available.
CAS Name
Phorbol 12,13-dibenzoateMolecular Formula
C34H36O8Molecular Mass
572.64Cite this Page
Phorbol 12,13-dibenzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=25405-85-0 (retrieved ) (CAS RN: 25405-85-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H36O8/c1-19-15-25-32(39,27(19)36)17-21(18-35)16-24-26-31(3,4)34(26,42-30(38)23-13-9-6-10-14-23)28(20(2)33(24,25)40)41-29(37)22-11-7-5-8-12-22/h5-16,20,24-26,28,35,39-40H,17-18H2,1-4H3/t20-,24+,25-,26-,28-,32-,33-,34-/m1/s1
InChIKey
InChIKey=FQHYQCXMFZHLAE-PNEATKGUSA-N
SMILES
O(C(=O)C1=CC=CC=C1)[C@@]23[C@@](C2(C)C)([C@]4([C@](O)([C@H](C)[C@H]3OC(=O)C5=CC=CC=C5)[C@]6([C@](O)(CC(CO)=C4)C(=O)C(C)=C6)[H])[H])[H]
Canonical SMILES
O=C(OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(=CC32)C)C4C1(OC(=O)C=5C=CC=CC5)C4(C)C)C=6C=CC=CC6
Other Names for this Substance
- 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-
- 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, 9,9a-dibenzoate, (+)-
- 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
- (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9,9a-Bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one
- Phorbol 12,13-dibenzoate
Deleted or Replaced CAS Registry Numbers
112456-41-4, 22391-37-3
