Cas no 130217-17-3 (Kaur-16-en-18-oic acid,9,11-dihydroxy-15-oxo-, b-D-glucopyranosyl ester, (4a,11b)- (9CI))
130217-17-3 structure
Product Name:Kaur-16-en-18-oic acid,9,11-dihydroxy-15-oxo-, b-D-glucopyranosyl ester, (4a,11b)- (9CI)
CAS No:130217-17-3
MF:C26H38O10
MW:510.573929309845
CID:170348
Update Time:2024-03-01
Kaur-16-en-18-oic acid,9,11-dihydroxy-15-oxo-, b-D-glucopyranosyl ester, (4a,11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Kaur-16-en-18-oic acid,9,11-dihydroxy-15-oxo-, b-D-glucopyranosyl ester, (4a,11b)- (9CI)
- (-)-Adenostemmoside B
- 1H-2,10a-Ethanophenanthrene,kaur-16-en-18-oic acid deriv.
- Adenostemmoside B
- Kaur-16-en-18-oic acid, 9,11-dihydroxy-15-oxo-, β-D-glucopyranosyl ester, (4α,11β)- (9CI)
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- Inchi： 1S/C26H38O10/c1-12-13-9-16(28)26(34)24(3)7-4-6-23(2,15(24)5-8-25(26,10-13)20(12)32)22(33)36-21-19(31)18(30)17(29)14(11-27)35-21/h13-19,21,27-31,34H,1,4-11H2,2-3H3/t13-,14-,15-,16+,17-,18+,19-,21+,23-,24-,25+,26-/m1/s1
- InChI Key： OQZUFKKMWLOWKV-BXQSGASKSA-N
- SMILES： C=C1[C@@H]2C[C@H](O)[C@@]3(O)[C@@]4(C)[C@@](CC[C@]3(C2)C1=O)([H])[C@](C)(C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=O)CCC4
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.45±0.1 g/cm3(Predicted)
- Boiling Point: 688.4±55.0 °C(Predicted)
- PSA: 52.54
- pka: 12.51±0.70(Predicted)
Kaur-16-en-18-oic acid,9,11-dihydroxy-15-oxo-, b-D-glucopyranosyl ester, (4a,11b)- (9CI) Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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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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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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