Chem
J-GLOBAL ID:200907076036663070
Nikkaji number:J1.577.939J
Satratoxin H 13′-acetate
サトラトキシンH13′-アセタート
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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:
C31 H38 O10
Molecular formula furigana:
C31-H38-O10
Molecular weight:
570.635
InChI:
InChI=1S/C31H38O10/c1-18-8-11-29-16-36-26(34)14-21-9-12-37-30(27(21)35,19(2)39-20(3)32)10-6-5-7-25(33)41-22-15-24(40-23(29)13-18)31(17-38-31)28(22,29)4/h5-7,10,13-14,19,22-24,27,35H,8-9,11-12,15-17H2,1-4H3
InChI key:
KCAXSPYCWSZZBL-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C)C12OCCC(=CC(=O)OCC34CCC(=CC3OC3CC(OC(=O)C=CC=C1)C4(C)C13CO1)C)C2O
Systematic name (3):
サトラトキシンH13′-アセタート
1-{27'-ヒドロキシ-9',15'-ジメチル-3',18'-ジオキソ-4',12',17',24'-テトラオキサスピロ[オキシラン-2,14'-ペンタシクロ[21.3.1.113,16 .06,11 .06,15 ]オクタコサン]-1',9',19',21'-テトラエン-23'-イル}エチル アセタート
1-{27'-hydroxy-9',15'-dimethyl-3',18'-dioxo-4',12',17',24'-tetraoxaspiro[oxirane-2,14'-pentacyclo[21.3.1.113,16 .06,11 .06,15 ]octacosane]-1',9',19',21'-tetraen-23'-yl}ethyl acetate
Other name (1):
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