Cas no 77757-07-4 (Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-)
77757-07-4 structure
Product Name:Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-
CAS No:77757-07-4
MF:C25H41NO7
MW:467.595548391342
CID:2685130
Update Time:2024-03-01
Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)- Chemical and Physical Properties
Names and Identifiers
-
- Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)-
- MLS000728661
- 3-Hydroxychasmanine
- SMR000470834
-
- Inchi: 1S/C25H41NO7/c1-6-26-10-23(11-30-2)15(27)8-16(32-4)25-13-7-12-14(31-3)9-24(29,17(13)19(12)28)18(22(25)26)20(33-5)21(23)25/h12-22,27-29H,6-11H2,1-5H3
- InChI Key: DQEABNIOXCZHOW-UHFFFAOYSA-N
- SMILES: OC1C2C3(C4C5C6(C(C(C(O)CC6OC)(CN5CC)COC)C4OC)C2CC1C(OC)C3)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- XLogP3: -0.766
Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,16β)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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