Cas no 1492037-91-8 (3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5α,6α,8β)-form, 8-Tigloyl)
1492037-91-8 structure
Product Name:3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5α,6α,8β)-form, 8-Tigloyl
CAS No:1492037-91-8
MF:C20H22O6
MW:358.385086536407
CID:6645464
Update Time:2024-03-01
3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5α,6α,8β)-form, 8-Tigloyl Chemical and Physical Properties
Names and Identifiers
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- 3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5α,6α,8β)-form, 8-Tigloyl
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- Inchi： 1S/C20H22O6/c1-6-8(2)19(23)25-12-7-9(3)13-15(10(4)16(21)17(13)22)18-14(12)11(5)20(24)26-18/h6,12,14-15,18,21H,5,7H2,1-4H3
- InChI Key： SUMNDQZFWDLNGR-UHFFFAOYSA-N
- SMILES： CC=C(C(OC1C2C(OC(C2=C)=O)C2C(=C(C(C2=C(C)C1)=O)O)C)=O)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5α,6α,8β)-form, 8-Tigloyl Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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