Cas no 1181222-84-3 (1,8-Dihydroxy-2-pinen-4-one; (1S,5R,6R)-form, 2β,3-Dihydro, 8-O-(3,4,5-trihydroxybenzoyl))
1181222-84-3 structure
Product Name:1,8-Dihydroxy-2-pinen-4-one; (1S,5R,6R)-form, 2β,3-Dihydro, 8-O-(3,4,5-trihydroxybenzoyl)
CAS No:1181222-84-3
MF:C17H20O7
MW:336.336505889893
CID:6749010
Update Time:2024-03-03
1,8-Dihydroxy-2-pinen-4-one; (1S,5R,6R)-form, 2β,3-Dihydro, 8-O-(3,4,5-trihydroxybenzoyl) Chemical and Physical Properties
Names and Identifiers
-
- (-)-Paeoniflorone
- paeoniflorone
- 1,8-Dihydroxy-2-pinen-4-one; (1S,5R,6R)-form, 2β,3-Dihydro, 8-O-(3,4,5-trihydroxybenzoyl)
-
- Inchi： 1S/C17H20O7/c1-8-3-11(18)10-6-17(8,23)16(10,2)7-24-15(22)9-4-12(19)14(21)13(20)5-9/h4-5,8,10,19-21,23H,3,6-7H2,1-2H3
- InChI Key： BCWBVYONIOEKQB-UHFFFAOYSA-N
- SMILES： CC1C2(C(C(C2)C(=O)C1)(COC(C1C=C(O)C(O)=C(O)C=1)=O)C)O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- XLogP3: 1.064
1,8-Dihydroxy-2-pinen-4-one; (1S,5R,6R)-form, 2β,3-Dihydro, 8-O-(3,4,5-trihydroxybenzoyl) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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