Chem
J-GLOBAL ID:200907008758705294
Nikkaji number:J264.759A
(2S)-Hydroxy-3,4-dehydroneomajucin
(2S)-ヒドロキシ-3,4-デヒドロネオマジュシン
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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:
C15 H18 O7
Molecular formula furigana:
C15-H18-O7
Molecular weight:
310.302
InChI:
InChI=1S/C15H18O7/c1-6-7(16)3-8-13(2)5-21-12(19)15(13,20)9-4-14(6,8)10(17)11(18)22-9/h3,6-7,9-10,16-17,20H,4-5H2,1-2H3/t6-,7-,9?,10+,13+,14-,15-/m1/s1
InChI key:
HXUUMNXQBBQBOJ-WMMUQXLFSA-N
SMILES:
C[C@@H]1[C@H](O)C=C2[C@]3(C)COC(=O)[C@]3(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3
Systematic name (5):
(3aR,4R,7R,7aR,8S,9R,10bR)-1,3a,4,8,9,10b-ヘキサヒドロ-3aβ,7α,9α-トリヒドロキシ-8α,10bβ-ジメチル-7H-4β,7aβ-メタノ-3H,7aH-シクロペンタ[e]フロ[3,4-c]オキソシン-3,6-ジオン
(3aR)-3aβ,7α,9α-トリヒドロキシ-8α,10bβ-ジメチル-4β,7aβ-メタノ-1,3a,4,8,9,10b-ヘキサヒドロ-3H,7aH-シクロペンタ[e]フロ[3,4-c]オキソシン-3,6(7H)-ジオン
(αR,3aR)-α,3aβ,4α,7α-テトラヒドロキシ-3-オキソ-6α,8bβ-ジメチル-3,3a,4,5,5a,6,7,8b-オクタヒドロ-1H-インデノ[4,5-c]フラン-5aα-酢酸5a,4-ラクトン
(1R,2S,3R,6R,10R,11R,14R)-3,10,14-トリヒドロキシ-2,6-ジメチル-8,12-ジオキサテトラシクロ[9.3.1.01,5 .06,10 ]ペンタデカ-4-エン-9,13-ジオン
(1R,2S,3R,6R,10R,11R,14R)-3,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5 .06,10 ]pentadec-4-ene-9,13-dione
Other name (4):
(3aR)-3aβ,7α,9α-Trihydroxy-8α,10bβ-dimethyl-4β,7aβ-methano-1,3a,4,8,9,10b-hexahydro-3H,7aH-cyclopenta[e]furo[3,4-c]oxocin-3,6(7H)-dione
(2S)-ヒドロキシ-3,4-デヒドロネオマジュシン
(2S)-Hydroxy-3,4-dehydroneomajucin
(αR,3aR)-α,3aβ,4α,7α-Tetrahydroxy-3-oxo-6α,8bβ-dimethyl-3,3a,4,5,5a,6,7,8b-octahydro-1H-indeno[4,5-c]furan-5aα-acetic acid 5a,4-lactone
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