Cas no 113375-80-7 (Carda-1,14,20(22)-trienolide,7,11-bis(acetyloxy)-12,21-dihydroxy-4,4,8-trimethyl-3-oxo-, (5a,7a,11a,12a,13a,17a)- (9CI))
113375-80-7 structure
Product Name:Carda-1,14,20(22)-trienolide,7,11-bis(acetyloxy)-12,21-dihydroxy-4,4,8-trimethyl-3-oxo-, (5a,7a,11a,12a,13a,17a)- (9CI)
CAS No:113375-80-7
MF:C30H38O9
MW:542.61733007431
CID:199475
Update Time:2024-03-01
Carda-1,14,20(22)-trienolide,7,11-bis(acetyloxy)-12,21-dihydroxy-4,4,8-trimethyl-3-oxo-, (5a,7a,11a,12a,13a,17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carda-1,14,20(22)-trienolide,7,11-bis(acetyloxy)-12,21-dihydroxy-4,4,8-trimethyl-3-oxo-, (5a,7a,11a,12a,13a,17a)- (9CI)
- Isolimbolide
- Carda-1,14,20(22)-trienolide, 7,11-bis(acetyloxy)-12,21-dihydroxy-4,4,8-trimethyl-3-oxo-, (5α,7α,11α,12α,13α,17α)- (9CI)
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- Inchi： 1S/C30H38O9/c1-14(31)37-21-13-19-27(3,4)20(33)10-11-28(19,5)24-23(38-15(2)32)25(35)29(6)17(8-9-18(29)30(21,24)7)16-12-22(34)39-26(16)36/h9-12,17,19,21,23-26,35-36H,8,13H2,1-7H3
- InChI Key： BXVWYPVFQMJLSY-UHFFFAOYSA-N
- SMILES： CC12C(CC3C(C(=O)C=CC3(C)C1C(C(O)C1(C(C3C(OC(=O)C=3)O)CC=C21)C)OC(=O)C)(C)C)OC(=O)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.32±0.1 g/cm3(Predicted)
- Boiling Point: 691.1±55.0 °C(Predicted)
- PSA: 52.54
- pka: 9.90±0.40(Predicted)
Carda-1,14,20(22)-trienolide,7,11-bis(acetyloxy)-12,21-dihydroxy-4,4,8-trimethyl-3-oxo-, (5a,7a,11a,12a,13a,17a)- (9CI) Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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