Chem
J-GLOBAL ID:200907096090128598
Nikkaji number:J37.064I
Calonectrin
カロネクトリン
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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:
C19 H26 O6
Molecular formula furigana:
C19-H26-O6
Molecular weight:
350.411
InChI:
InChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14-,15-,16-,17-,18-,19+/m1/s1
InChI key:
IGDIDZAQDRAJRB-UPGMHYFXSA-N
SMILES:
CC(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]1[C@@H](C[C@@]2(C)[C@@]21CO2)OC(=O)C)C
Systematic name (4):
12,13-エポキシトリコテカ-9-エン-3α,15-ジオールジアセタート
3α,15-ジアセトキシ-12,13-エポキシトリコテカ-9-エン
[(1'R,2S,2'R,7'R,9'R,10'R)-10'-(アセチルオキシ)-1',5'-ジメチル-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7 ]ドデカン]-5'-エン-2'-イル]メチル アセタート
[(1'R,2S,2'R,7'R,9'R,10'R)-10'-(acetyloxy)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7 ]dodecan]-5'-en-2'-yl]methyl acetate
Other name (6):
カロネクトリン
Calonectrin
12,13-Epoxytrichothec-9-ene-3α,15-diol diacetate
3α,15-Diacetoxy-12,13-epoxytrichothec-9-ene
(+)-カロネクトリン
(+)-Calonectrin
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CAS registry number:
38818-51-8
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