Cas no 126239-88-1 (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-,(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI))
126239-88-1 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-,(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI)
CAS No:126239-88-1
MF:C31H40O8
MW:540.644510269165
CID:206995
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-,(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI) 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-,(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI)
- 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-,[2R-(2R*,3S*,3aS*,4E,6R*,10E,12R*,13R*,13aR*)]-
- Euphoscopin H
- 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-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI)
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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-/m1/s1
- InChI Key： DQMPCOCRFCCCNZ-QWRFVLAXSA-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
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 614.7±55.0 °C(Predicted)
- PSA: 52.54
- pka: 13.22±0.70(Predicted)
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-,(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI) Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
126239-88-1 (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-,(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI)) Related Products
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