Cas no 426822-85-7 (7,8,11-Trihydroxy-14-oxo-2,3-seco-15-isopimarene-2,3-dioic acid; (7α,8β,11α)-form, 11-Benzoyl, 7-Ac, 3-Me ester)
426822-85-7 structure
Product Name:7,8,11-Trihydroxy-14-oxo-2,3-seco-15-isopimarene-2,3-dioic acid; (7α,8β,11α)-form, 11-Benzoyl, 7-Ac, 3-Me ester
CAS No:426822-85-7
MF:C30H38O10
MW:558.616730213165
CID:6742020
Update Time:2024-03-03
7,8,11-Trihydroxy-14-oxo-2,3-seco-15-isopimarene-2,3-dioic acid; (7α,8β,11α)-form, 11-Benzoyl, 7-Ac, 3-Me ester Chemical and Physical Properties
Names and Identifiers
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- Secoorthosiphol B
- 7,8,11-Trihydroxy-14-oxo-2,3-seco-15-isopimarene-2,3-dioic acid; (7α,8β,11α)-form, 11-Benzoyl, 7-Ac, 3-Me ester
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- Inchi： 1S/C30H38O10/c1-8-28(5)15-19(40-24(34)18-12-10-9-11-13-18)23-29(6,16-22(32)33)20(27(3,4)26(36)38-7)14-21(39-17(2)31)30(23,37)25(28)35/h8-13,19-21,23,37H,1,14-16H2,2-7H3,(H,32,33)
- InChI Key： ZNOSNEAHXFOXRY-UHFFFAOYSA-N
- SMILES： COC(C(C1C(CC(=O)O)(C)C2C(OC(C3C=CC=CC=3)=O)CC(C(C2(O)C(OC(=O)C)C1)=O)(C=C)C)(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 40
- XLogP3: 3.204
7,8,11-Trihydroxy-14-oxo-2,3-seco-15-isopimarene-2,3-dioic acid; (7α,8β,11α)-form, 11-Benzoyl, 7-Ac, 3-Me ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
426822-85-7 (7,8,11-Trihydroxy-14-oxo-2,3-seco-15-isopimarene-2,3-dioic acid; (7α,8β,11α)-form, 11-Benzoyl, 7-Ac, 3-Me ester) Related Products
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