Chem
J-GLOBAL ID:200907017474977390
Nikkaji number:J1.448.324A
(3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6-methoxy-8-(acetoxymethyl)-6α,9α-epoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene
(3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6-メトキシ-8-(アセトキシメチル)-6α,9α-エポキシ-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン
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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:
C23 H34 O4
Molecular formula furigana:
C23-H34-O4
Molecular weight:
374.521
InChI:
InChI=1S/C23H34O4/c1-14(2)17-7-8-21(4)9-10-22(5)18(20(17)21)11-19-16(13-26-15(3)24)12-23(22,25-6)27-19/h12,14,18-19H,7-11,13H2,1-6H3/t18-,19-,21-,22-,23-/m1/s1
InChI key:
YIDIBVAKSOVRBY-VYFVWBTQSA-N
SMILES:
CO[C@]12O[C@H](C[C@@H]3C4=C(CC[C@]4(C)CC[C@@]13C)C(C)C)C(=C2)COC(=O)C
Systematic name (3):
(3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6-メトキシ-8-(アセトキシメチル)-6α,9α-エポキシ-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン
[(1R,2R,5R,10R,12R)-1-メトキシ-2,5-ジメチル-8-(プロパン-2-イル)-15-オキサテトラシクロ[10.2.1.02,10 .05,9 ]ペンタデカ-8,13-ジエン-13-イル]メチル アセタート
[(1R,2R,5R,10R,12R)-1-methoxy-2,5-dimethyl-8-(propan-2-yl)-15-oxatetracyclo[10.2.1.02,10 .05,9 ]pentadeca-8,13-dien-13-yl]methyl acetate
Other name (1):
(3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6-methoxy-8-(acetoxymethyl)-6α,9α-epoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene
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