Chem
J-GLOBAL ID:200907068274220590
Nikkaji number:J14.371E
Pristimerin
プリスチメリン
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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:
C30 H40 O4
Molecular formula furigana:
C30-H40-O4
Molecular weight:
464.646
InChI:
InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChI key:
JFACETXYABVHFD-WXPPGMDDSA-N
SMILES:
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C
Systematic name (4):
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-酸メチル
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-酸メチル
メチル (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-カルボキシラート
methyl (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-carboxylate
Other name (6):
プリスチメリン
Pristimerin
セラストロール-メチルエーテル
Celastrol-methylether
3-Hydroxy-2-oxo-24-nor-D:A-friedoolean-1(10),3,5,7-tetren-29-oic acid methyl ester
2-Oxo-3-hydroxy-24-norfriedelane-1(10),3,5,7-tetraene-29-oic acid methyl ester
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CAS registry number:
1258-84-0
Regulation number (1):
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