Chem
J-GLOBAL ID:200907021680264454
Nikkaji number:J1.741.068G
(3aR)-3,8-Dioxo-3aβ,6-dihydroxy-7β,9bβ-dimethyl-4β,6aβ-methano-1,3,3a,6,6a,7,8,9b-octahydro-4H-2,5-dioxa-2H-cyclopenta[e]azulene-6α-carboxylic acid methyl ester
メチル (1R,2R,6R,10R,11R,13S)-10,13-ジヒドロキシ-2,6-ジメチル-3,9-ジオキソ-8,12-ジオキサテトラシクロ[9.2.1.01,5 .06,10 ]テトラデカ-4-エン-13-カルボキシラート
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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:
C16 H18 O8
Molecular formula furigana:
C16-H18-O8
Molecular weight:
338.312
InChI:
InChI=1S/C16H18O8/c1-7-8(17)4-9-13(2)6-23-11(18)15(13,20)10-5-14(7,9)16(21,24-10)12(19)22-3/h4,7,10,20-21H,5-6H2,1-3H3/t7-,10+,13-,14+,15+,16+/m0/s1
InChI key:
RVLZTXZDKYFFMN-DYQQQXBFSA-N
SMILES:
COC(=O)[C@@]1(O)O[C@@H]2C[C@@]31[C@@H](C)C(=O)C=C3[C@]1(C)COC(=O)[C@]21O
Systematic name (3):
(3aR)-3,8-ジオキソ-3aβ,6-ジヒドロキシ-7β,9bβ-ジメチル-4β,6aβ-メタノ-1,3,3a,6,6a,7,8,9b-オクタヒドロ-4H-2,5-ジオキサ-2H-シクロペンタ[e]アズレン-6α-カルボン酸メチル
メチル (1R,2R,6R,10R,11R,13S)-10,13-ジヒドロキシ-2,6-ジメチル-3,9-ジオキソ-8,12-ジオキサテトラシクロ[9.2.1.01,5 .06,10 ]テトラデカ-4-エン-13-カルボキシラート
methyl (1R,2R,6R,10R,11R,13S)-10,13-dihydroxy-2,6-dimethyl-3,9-dioxo-8,12-dioxatetracyclo[9.2.1.01,5 .06,10 ]tetradec-4-ene-13-carboxylate
Other name (1):
(3aR)-3,8-Dioxo-3aβ,6-dihydroxy-7β,9bβ-dimethyl-4β,6aβ-methano-1,3,3a,6,6a,7,8,9b-octahydro-4H-2,5-dioxa-2H-cyclopenta[e]azulene-6α-carboxylic acid methyl ester
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