Cas no 32981-90-1 (BACCATIN III(P))
BACCATIN III(P) structure
Product Name:BACCATIN III(P)
CAS No:32981-90-1
MF:C33H40O12
MW:628.663511276245
CID:1072379
Update Time:2024-10-30
BACCATIN III(P) Chemical and Physical Properties
Names and Identifiers
-
- BACCATIN III(P)
- 7-acetyl baccatin III
- ACETYLBACCATIN III, 7-(P)
- ACETYLBACCATIN III, 7-(P) PrintBack
- 7-Acety Baccatin III
- 7-acetylbaccatin-III
- (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-4,6,12b-triyl triacetate
- 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
- ACETYLBACCATIN III, 7-
-
- Inchi： 1S/C33H40O12/c1-16-21(37)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,27(38)25(43-18(3)35)24(16)30(33,5)6)22(42-17(2)34)13-23-32(26,15-41-23)45-19(4)36/h8-12,21-23,25-26,28,37,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,28-,31+,32-,33+/m0/s1
- InChI Key： JYOYPBLJRSNZKR-UVDWMJHKSA-N
- SMILES： O1C[C@@]2(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(C)(C)C(=C(C)[C@@H](O)C4)[C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](OC(C)=O)C[C@@]12[H]
Computed Properties
- Exact Mass: 628.25200
Experimental Properties
- Density: 1.36±0.1 g/cm3(Predicted)
- Boiling Point: 711.7±60.0 °C(Predicted)
- PSA: 171.96000
- LogP: 2.22340
- pka: 12.70±0.70(Predicted)
BACCATIN III(P) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
32981-90-1 (BACCATIN III(P)) Related Products
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