Cas no 477807-59-3 (Sesterterpenoic acid)
Sesterterpenoic acid structure
Product Name:Sesterterpenoic acid
CAS No:477807-59-3
MF:C25H40O3
MW:388.58330821991
CID:6726886
Update Time:2024-03-03
Sesterterpenoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
- Sesterterpenoic acid
-
- Inchi： 1S/C25H40O3/c1-17-9-12-23(26)19(3)10-11-22-21(14-16-25(22,5)15-13-17)18(2)7-6-8-20(4)24(27)28/h8,10,13,18,21-23,26H,6-7,9,11-12,14-16H2,1-5H3,(H,27,28)
- InChI Key： BSSJWMDJGNMFKS-UHFFFAOYSA-N
- SMILES： CC(C1C2C(CC=C(CCC(C(=CC2)C)O)C)(C)CC1)CCC=C(C(=O)O)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- XLogP3: 7.229
Sesterterpenoic acid Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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