Hexadecanoic acid, (1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
CAS Registry Number®
53202-98-5
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CAS Name
Hexadecanoic acid, (1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl esterMolecular Formula
C38H60O9Molecular Mass
660.88Cite this Page
Hexadecanoic acid, (1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-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=53202-98-5 (retrieved ) (CAS RN: 53202-98-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C38H60O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(42)46-34-26(3)37(45)29(32-35(5,24-40)38(32,34)47-27(4)41)21-28(23-39)22-36(44)30(37)20-25(2)33(36)43/h20-21,26,29-30,32,34,39-40,44-45H,6-19,22-24H2,1-5H3/t26-,29+,30-,32-,34-,35-,36-,37-,38-/m1/s1
InChIKey
InChIKey=DYHBGVHTKOPQDM-SGPTVBMASA-N
SMILES
O(C(C)=O)[C@@]12[C@@]([C@]1(CO)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(CCCCCCCCCCCCCCC)=O)[C@]4([C@](O)(CC(CO)=C3)C(=O)C(C)=C4)[H])[H])[H]
Canonical SMILES
O=C(OC12C(OC(=O)CCCCCCCCCCCCCCC)C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(=CC43)C)C1C2(C)CO)C
Other Names for this Substance
- Hexadecanoic acid, (1S,1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
- Hexadecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1S-(1α,1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
- 1H-Cyclopropa[3,4]benz[1,2-e]azulene, hexadecanoic acid deriv.
- 12-O-Palmityl-13-O-acetyl-16-hydroxyphorbol
- Croton factor F1
