Chem
J-GLOBAL ID:200907030016107812
Nikkaji number:J18.706B
Celastrol
セラストロール
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C29 H38 O4
Molecular formula furigana:
C29-H38-O4
Molecular weight:
450.619
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
InChI key:
KQJSQWZMSAGSHN-JJWQIEBTSA-N
SMILES:
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)O
Systematic name (5):
(20R)-3-ヒドロキシ-2-オキソ-24-ノル-D:A-フリードオレアナ-1(10),3,5,7-テトラエン-29-酸
2-オキソ-3-ヒドロキシ-24-ノルフリーデラン-1(10),3,5,7-テトラエン-29-酸
2-オキソ-3-ヒドロキシ-24-ノルフリーデラ-1(10),3,5,7-テトラエン-29-酸
(2R,4aS,6aS,12bR,14aS,14bR)-10-ヒドロキシ-2,4a,6a,9,12b,14a-ヘキサメチル-11-オキソ-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-テトラデカヒドロピセン-2-カルボン酸
(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Other name (9):
セラストロール
Celastrol
(20R)-3-Hydroxy-2-oxo-24-nor-D:A-friedoolean-1(10),3,5,7-tetren-29-oic acid
トリプテリン
Tripterin
2-Oxo-3-hydroxy-24-norfriedelane-1(10),3,5,7-tetraene-29-oic acid
2-Oxo-3-hydroxy-24-norfriedela-1(10),3,5,7-tetraene-29-oic acid
Celasterol
セラステロール
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CAS registry number:
34157-83-0
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