Cas no 1039021-90-3 (herpetolide A)
herpetolide A structure
Product Name:herpetolide A
CAS No:1039021-90-3
MF:C16H14O6
MW:302.278765201569
CID:2044870
Update Time:2025-04-21
herpetolide A Chemical and Physical Properties
Names and Identifiers
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- herpetolide A
-
- Inchi： 1S/C16H14O6/c1-20-9-3-8(7-17)15-10-6-13(21-2)12(18)5-11(10)16(19)22-14(15)4-9/h3-6,17-18H,7H2,1-2H3
- InChI Key： QFMFJEWJLZEZLH-UHFFFAOYSA-N
- SMILES： COC1C=C2OC(C3C(C2=C(CO)C=1)=CC(OC)=C(O)C=3)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- XLogP3: 0.384
herpetolide A Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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