Chem
J-GLOBAL ID:200907002405689742
Nikkaji number:J1.869.403D
6α,6′α-(1,6-Dioxahexane-1,6-diyl)-7α,7′-(1,4,7-trioxaheptane-1,7-diyl)bis[4-methyl-3-oxabicyclo[4.2.0]octa-4-ene-2-one]
6α,6′α-(1,6-ジオキサヘキサン-1,6-ジイル)-7α,7′-(1,4,7-トリオキサヘプタン-1,7-ジイル)ビス[4-メチル-3-オキサビシクロ[4.2.0]オクタ-4-エン-2-オン]
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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:
C24 H32 O9
Molecular formula furigana:
C24-H32-O9
Molecular weight:
464.511
InChI:
InChI=1S/C24H32O9/c1-15-13-23-17(21(25)32-15)11-19(23)28-9-7-27-8-10-29-20-12-18-22(26)33-16(2)14-24(18,20)31-6-4-3-5-30-23/h13-14,17-20H,3-12H2,1-2H3/t17?,18?,19-,20?,23+,24+/m1/s1
InChI key:
JJATUQFCJKUIIE-CKIHKQABSA-N
SMILES:
CC1=C[C@@]23OCCCCO[C@@]45C=C(C)OC(=O)C4C[C@H]5OCCOCCOC2CC3C(=O)O1
Systematic name (3):
6α,6′α-(1,6-ジオキサヘキサン-1,6-ジイル)-7α,7′-(1,4,7-トリオキサヘプタン-1,7-ジイル)ビス[4-メチル-3-オキサビシクロ[4.2.0]オクタ-4-エン-2-オン]
(1S,8S,15R)-10,28-ジメチル-2,7,11,16,19,22,27-ヘプタオキサペンタシクロ[21.6.0.01,25 .08,13 .08,15 ]ノナコサ-9,28-ジエン-12,26-ジオン
(1S,8S,15R)-10,28-dimethyl-2,7,11,16,19,22,27-heptaoxapentacyclo[21.6.0.01,25 .08,13 .08,15 ]nonacosa-9,28-diene-12,26-dione
Other name (1):
6α,6′α-(1,6-Dioxahexane-1,6-diyl)-7α,7′-(1,4,7-trioxaheptane-1,7-diyl)bis[4-methyl-3-oxabicyclo[4.2.0]octa-4-ene-2-one]
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