CAS Registry Number®
34157-83-0
CAS Name
Celastrol
Molecular Formula
C29H38O4
Molecular Mass
450.61
Compound Properties
-
Melting Point (1)
195 °C (decomp)
Source(s)
- (1) Chou, T. Q.; Zhongguo Shenglixue Zazhi, (1936), 10, 529-34, CAplus
Other Names and Identifiers
InChI
InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
InChIKey
InChIKey=KQJSQWZMSAGSHN-JJWQIEBTSA-N
SMILES
C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(O)=O)(C)C3)[H])CC[C@]4(C)C2=CC=C5C4=CC(=O)C(O)=C5C
Canonical SMILES
O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC34C)C(=C1O)C
Other Names for this Substance
- 24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, (9β,13α,14β,20α)-
- D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20α)-
- 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-
- (9β,13α,14β,20α)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid
- Celastrol
- Tripterin
- 2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, [2R-(2α,4aβ,6aβ,12bβ,14aα,14bβ)]-
- 2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)-
- NSC 70931
- UI1590
