(1e,4s,4Ar,5r,6as,7s)-7,11-dihydroxy-4-(methoxymethyl)-4a,6a-dimethyl-1-{[methyl(1-methylpyrrolidin-3-yl)amino]methylene}-2,10-dioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate

HCID 11512258
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기본 정보

표준 SMILES
COC[C@H]1OC(=O)/C(=C/N(C)C2CCN(C)C2)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)C3CC[C@@H]4O)[C@]21C
InChIKey
VMVBIIWTAIKIMP-DUYJFPNZSA-N
분자식
C29H40N2O8
평균 분자량
544.6 g/mol

이름 및 식별자

우선 이름
(1e,4s,4Ar,5r,6as,7s)-7,11-dihydroxy-4-(methoxymethyl)-4a,6a-dimethyl-1-{[methyl(1-methylpyrrolidin-3-yl)amino]methylene}-2,10-dioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate
IUPAC
[(1S,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate

이름 및 동의어

SCHEMBL3184058VMVBIIWTAIKIMP-DUYJFPNZSA-N(1e,4s,4ar,5r,6as,7s)-7,11-dihydroxy-4-(methoxymethyl)-4a,6a-dimethyl-1-{[methyl(1-methylpyrrolidin-3-yl)amino]methylene}-2,10-dioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate

데이터베이스 식별자

PubChem CID
11512258

물성

구조 계산 물성

XLogP
1
극성 표면적
126 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
39

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