Cas no 144539-79-7 (N/A)
N/A structure
Product Name:N/A
CAS No:144539-79-7
MF:C20H24O6
MW:360.400966644287
CID:2076582
PubChem ID:11111171
Update Time:2025-04-21
N/A Chemical and Physical Properties
Names and Identifiers
-
- Triptolide
- EPITRIPTOIIDE
- 14-epi-triptolide
- (3bS,4aS,5aS,6S,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one
- 144539-79-7
- Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6S,6aR,7aS,7bS,8aS,8bS)-
- CHEMBL444360
- DTXSID401099143
- N/A
-
- Inchi： 1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16-,17-,18-,19+,20+/m0/s1
- InChI Key： DFBIRQPKNDILPW-FKXGARDLSA-N
- SMILES： O1[C@H]2[C@H]3[C@@](C(C)C)([C@@H]([C@]45[C@H](C[C@H]6C7COC(C=7CC[C@]6(C)[C@@]142)=O)O5)O)O3
Computed Properties
- Exact Mass: 360.15700
- Monoisotopic Mass: 360.15728848Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 819
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 84.1?2
Experimental Properties
- PSA: 84.12000
- LogP: 1.10310
N/A Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
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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