Retinoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
CAS Registry Number®
80188-99-4
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CAS Name
Retinoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl esterMolecular Formula
C42H56O8Molecular Mass
688.89Cite this Page
Retinoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80188-99-4 (retrieved ) (CAS RN: 80188-99-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H56O8/c1-24(16-17-31-26(3)15-12-18-38(31,7)8)13-11-14-25(2)19-34(45)49-37-28(5)41(48)32(35-39(9,10)42(35,37)50-29(6)44)21-30(23-43)22-40(47)33(41)20-27(4)36(40)46/h11,13-14,16-17,19-21,28,32-33,35,37,43,47-48H,12,15,18,22-23H2,1-10H3/b14-11+,17-16+,24-13+,25-19+/t28-,32+,33-,35-,37-,40-,41-,42-/m1/s1
InChIKey
InChIKey=GTNCUWBKHZZECN-IXTPSRJDSA-N
SMILES
O(C(C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(/C=C(/C=C/C=C(/C=C/C=4C(C)(C)CCCC4C)\C)\C)=O)[C@]5([C@](O)(CC(CO)=C3)C(=O)C(C)=C5)[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)C4(C)C)C=C(C=CC=C(C=CC5=C(C)CCCC5(C)C)C)C
Other Names for this Substance
- Retinoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
- Retinoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
- 1H-Cyclopropa[3,4]benz[1,2-e]azulene, retinoic acid deriv.
- Phorbol 12-retinoate 13-acetate
- 12-O-Retinoylphorbol 13-acetate
Deleted or Replaced CAS Registry Numbers
121749-40-4, 127627-26-3, 80600-91-5, 85679-99-8
