Cas no 126372-49-4 (8H-Cyclopentacyclododecen-8-one, 6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13S,13aR)-)
126372-49-4 structure
Product Name:8H-Cyclopentacyclododecen-8-one, 6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13S,13aR)-
CAS No:126372-49-4
MF:C31H40O8
MW:540.645682374015
CID:210096
Update Time:2024-03-01
8H-Cyclopentacyclododecen-8-one, 6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- Chemical and Physical Properties
Names and Identifiers
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- 8H-Cyclopentacyclododecen-8-one,6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)-
- 8H-Cyclopentacyclododecen-8-one,6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-
- 8H-Cyclopentacyclododecen-8-one,6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-,[2S-(2R*,3R*,3aR*,4E,6S*,10E,12R*,13R*,13aS*)]-
- Euphornin G
- 8H-Cyclopentacyclododecen-8-one, 6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13S,13aR)-
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- Inchi： 1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-25,27-28,36H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,25+,27-,28-,31+/m0/s1
- InChI Key： DQMPCOCRFCCCNZ-GPVIUMJRSA-N
- SMILES： [C@]12([H])[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](C)C[C@]1(O)[C@@H](OC(C)=O)[C@@H](C)C=CC(C)(C)C(=O)C[C@@H](OC(C)=O)C(C)=C2 |t:26,40|
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 39
- XLogP3: 3.535
8H-Cyclopentacyclododecen-8-one, 6,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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