Cas no 32214-81-6 (Woodwardic acid)
Woodwardic acid structure
Product Name:Woodwardic acid
CAS No:32214-81-6
MF:C30H48O3
MW:456.700329780579
CID:2009410
PubChem ID:101324768
Update Time:2025-04-21
Woodwardic acid Chemical and Physical Properties
Names and Identifiers
-
- Woodwardic acid
- Woodwardinic acid
- (4S)-3β-Hydroxy-A'-neogammacer-22(29)-en-23-oic acid
- DTXSID801210486
- (3I(2),4I+/-)-3-Hydroxy-Aa(2)-neogammacer-22(29)-en-23-oic acid
- 32214-81-6
-
- Inchi： 1S/C30H48O3/c1-18(2)19-10-14-26(3)20(19)11-16-28(5)21(26)8-9-22-27(4)15-13-24(31)30(7,25(32)33)23(27)12-17-29(22,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)
- InChI Key： YAEIPGASNIIPBB-UHFFFAOYSA-N
- SMILES： CC(C1C2CCC3(C4(C(C5(C(CC4)C(C(=O)O)(C)C(O)CC5)C)CCC3C2(C)CC1)C)C)=C
Computed Properties
- Exact Mass: 456.36034539Da
- Monoisotopic Mass: 456.36034539Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 865
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.1
- Topological Polar Surface Area: 57.5?2
Woodwardic acid Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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