Cas no 131086-80-1 (Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-, 14-propanoate, (2b,3b,6b,14R)- (9CI))
131086-80-1 structure
Product Name:Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-, 14-propanoate, (2b,3b,6b,14R)- (9CI)
CAS No:131086-80-1
MF:C23H36O7
MW:424.52774810791
CID:208217
Update Time:2025-04-19
Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-, 14-propanoate, (2b,3b,6b,14R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-, 14-propanoate, (2b,3b,6b,14R)- (9CI)
- 5,7a-Methano-7aH-cyclohept[6,7]azuleno[1,2-b]oxirene,grayanotoxane-5,6,10,14,16-pentol deriv.
- Arichannatoxin I
- Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-propanoate, (2β,3β,6β,14R)- (9CI)
-
- Inchi： 1S/C23H36O7/c1-6-14(25)29-17-11-7-8-12-21(5,27)16-15-18(30-15)19(2,3)23(16,28)13(24)9-22(12,17)10-20(11,4)26/h11-13,15-18,24,26-28H,6-10H2,1-5H3
- InChI Key： FPWNQXCUDWQVAY-UHFFFAOYSA-N
- SMILES： CCC(OC1C23CC(C4(C(C)(C)C5C(O5)C4C(C2CCC1C(O)(C)C3)(O)C)O)O)=O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.27±0.1 g/cm3(Predicted)
- Boiling Point: 523.5±50.0 °C(Predicted)
- PSA: 52.54
- pka: 13.76±0.70(Predicted)
Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-, 14-propanoate, (2b,3b,6b,14R)- (9CI) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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