Cas no 147809-20-9 (13,14-epoxide-9,11,12-trihydroxytriptolide)
147809-20-9 structure
Product Name:13,14-epoxide-9,11,12-trihydroxytriptolide
CAS No:147809-20-9
MF:C20H26O7
MW:378.416246891022
CID:223834
Update Time:2023-11-19
13,14-epoxide-9,11,12-trihydroxytriptolide Chemical and Physical Properties
Names and Identifiers
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- Triptolide,9,11:12,13-dideepoxy-14-deoxy-13,14-epoxy-9,11,12-trihydroxy-, (11a,12a,13a)- (9CI)
- 13,14-Epoxide-9,11,12-trihydroxytriptolide
- 13,14-Epoxy-9,11,12-trihydroxytriptolide
- Epo-3OH-triptolide
- Triptolide, 9,11:12,13-dedeepoxy-14-deoxy-13,14-epoxy-9,11,12-trihydroxy-, (11alpha,12alpha,13alpha)-
- 4H-Bisoxireno[7,8:8a,9]phenanthro[1,2-c]furan,triptolide deriv.
- CID 133562583
- Triptolide, 9,11:12,13-dideepoxy-14-deoxy-13,14-epoxy-9,11,12-trihydroxy-, (11α,12α,13α)- (9CI)
- 13,14-epoxide-9,11,12-trihydroxytriptolide
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- Inchi： 1S/C20H26O7/c1-8(2)18-13(21)14(22)20(24)17(3)5-4-9-10(7-25-15(9)23)11(17)6-12-19(20,26-12)16(18)27-18/h8,11-14,16,21-22,24H,4-7H2,1-3H3/t11?,12?,13-,14+,16?,17-,18+,19?,20+/m1/s1
- InChI Key： FMCYKVIHEKZEQY-BNFLWDLRSA-N
- SMILES： O1C2CC3C4COC(C=4CC[C@@]3(C)[C@]3([C@H]([C@H]([C@@]4(C(C)C)C(C132)O4)O)O)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 806
- Topological Polar Surface Area: 112
13,14-epoxide-9,11,12-trihydroxytriptolide Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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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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