12-Deoxyphorbol-13-angelate-20-acetate
CAS Registry Number®
25090-72-6
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CAS Name
12-Deoxyphorbol-13-angelate-20-acetateMolecular Formula
C27H36O7Molecular Mass
472.57Cite this Page
12-Deoxyphorbol-13-angelate-20-acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=25090-72-6 (retrieved ) (CAS RN: 25090-72-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8+/t16-,19+,20-,21-,25-,26+,27-/m1/s1
InChIKey
InChIKey=ZZTJICHINNSOQL-LWYYLCCUSA-N
SMILES
O(C(/C(=C/C)/C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)C2)[C@]4([C@](O)(CC(COC(C)=O)=C3)C(=O)C(C)=C4)[H])[H])[H]
Canonical SMILES
O=C(OC12CC(C)C3(O)C(C=C(COC(=O)C)CC4(O)C(=O)C(=CC43)C)C1C2(C)C)C(=CC)C
Other Names for this Substance
- 2-Butenoic acid, 2-methyl-, (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, (2E)-
- Crotonic acid, 2-methyl-, 9a-ester with 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one 3-acetate, (E)-
- 2-Butenoic acid, 2-methyl-, 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(E)]]-
- 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, 3-acetate 9a-(2-methylcrotonate), (E)-
- 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, 2-butenoic acid deriv.
