Cas no 502915-00-6 (2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione; (7α,8β,11α)-form, 2,7-Di-Ac)
502915-00-6 structure
Product Name:2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione; (7α,8β,11α)-form, 2,7-Di-Ac
CAS No:502915-00-6
MF:C24H32O8
MW:448.506088256836
CID:6734449
Update Time:2024-03-03
2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione; (7α,8β,11α)-form, 2,7-Di-Ac Chemical and Physical Properties
Names and Identifiers
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- Orthosiphol Y
- (-)-Orthosiphol Y
- 2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione; (7α,8β,11α)-form, 2,7-Di-Ac
-
- Inchi： 1S/C24H32O8/c1-8-22(6)10-14(27)18-23(7)11-15(31-12(2)25)19(28)21(4,5)16(23)9-17(32-13(3)26)24(18,30)20(22)29/h8,11,14,16-18,27,30H,1,9-10H2,2-7H3
- InChI Key： HPYXDZBUORPUPP-UHFFFAOYSA-N
- SMILES： CC(OC1C2(C(C(CC(C2=O)(C=C)C)O)C2(C(C(C(C(=C2)OC(=O)C)=O)(C)C)C1)C)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 32
- XLogP3: 1.582
2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione; (7α,8β,11α)-form, 2,7-Di-Ac Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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