Cas no 126372-48-3 (8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI))
126372-48-3 structure
Product Name:8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI)
CAS No:126372-48-3
MF:C29H38O7
MW:498.60782957077
CID:169257
Update Time:2024-03-01
8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI)
- 8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,[2S-(2R*,3R*,3aR*,4E,6S*,10E,12R*,13R*,13aS*)]-
- Euphornin F
- 8H-Cyclopentacyclododecen-8-one, 13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI)
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- Inchi： 1S/C29H38O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(36-27(33)21-10-8-7-9-11-21)19(3)16-29(22,34)26(17)35-20(4)30/h7-14,17,19,22-23,25-26,31,34H,15-16H2,1-6H3/b13-12+,18-14+/t17-,19-,22-,23+,25-,26-,29+/m0/s1
- InChI Key： FXSRXIVXXGEOIQ-YQVNOZNRSA-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](O)C(C)=C2 |t:26,37|
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.20±0.1 g/cm3(Predicted)
- Boiling Point: 609.7±55.0 °C(Predicted)
- PSA: 52.54
- pka: 13.36±0.70(Predicted)
8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
126372-48-3 (8H-Cyclopentacyclododecen-8-one,13-(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6,13a-dihydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13S,13aR)- (9CI)) Related Products
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