Chem
J-GLOBAL ID:200907047231339015
Nikkaji number:J4.805D
Veratramine
ベラトラミン
Download MOL file
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:
C27 H39 NO2
Molecular formula furigana:
C27-H39-N-O2
Molecular weight:
409.614
InChI:
InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
InChI key:
MALFODICFSIXPO-KFKQDBFTSA-N
SMILES:
C[C@H]([C@@H]1NC[C@@H](C)C[C@H]1O)c1ccc2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3Cc2c1C
Systematic name (3):
14,15,16,17-テトラデヒドロベラトラマン-3β,23β-ジオール
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-ヒドロキシ-10,11b-ジメチル-1H,2H,3H,4H,6H,6aH,11H,11aH,11bH-シクロヘキサ[a]フルオレン-9-イル]エチル]-5-メチルピペリジン-3-オール
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1H,2H,3H,4H,6H,6aH,11H,11aH,11bH-cyclohexa[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
Other name (3):
ベラトラミン
Veratramine
14,15,16,17-Tetradehydroveratraman-3β,23β-diol
CAS registry number:
60-70-8
Regulation number (1):
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