Chem
J-GLOBAL ID:200907051565154595
Nikkaji number:J128.777J
Montanine
モンタニン
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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:
C22 H28 N2 O5
Molecular formula furigana:
C22-H28-N2-O5
Molecular weight:
400.475
InChI:
InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(27)29-3)18(15)24(11-13)7-6-22(21)19(26)16-9-14(28-2)4-5-17(16)23-22/h4-5,9,12-13,15,18,23,25H,6-8,10-11H2,1-3H3/t12-,13-,15-,18+,21-,22-/m0/s1
InChI key:
QTZPBQMTXNEKRX-UZZXJJOXSA-N
SMILES:
COC(=O)[C@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CC[C@]12Nc2ccc(OC)cc2C1=O)C3
Systematic name (3):
(20S)-20-ヒドロキシボアルテイン
メチル (1'S,2R,3'R,8'R,9'R)-9'-[(1S)-1-ヒドロキシエチル]-5-メトキシ-3-オキソ-1,3-ジヒドロ-7'-アザスピロ[インドール-2,4'-トリシクロ[5.3.1.03,8 ]ウンデカン]-3'-カルボキシラート
methyl (1'S,2R,3'R,8'R,9'R)-9'-[(1S)-1-hydroxyethyl]-5-methoxy-3-oxo-1,3-dihydro-7'-azaspiro[indole-2,4'-tricyclo[5.3.1.03,8 ]undecane]-3'-carboxylate
Other name (6):
CAS registry number:
18646-15-6
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