Chem
J-GLOBAL ID:200907004434087681
Nikkaji number:J91.943H
15-Deacetylcalonectrin
15-デアセチルカロネクトリン
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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:
C17 H24 O5
Molecular formula furigana:
C17-H24-O5
Molecular weight:
308.374
InChI:
InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1
InChI key:
DFPPNUOWRKIOKO-KWRZAIAESA-N
SMILES:
CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@]21CO
Systematic name (4):
12,13-エポキシトリコテカ-9-エン-3α,15-ジオール3-アセタート
3α-アセトキシ-15-ヒドロキシ-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)-2'-(ヒドロキシメチル)-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-10'-イル アセタート
(1'R,2S,2'R,7'R,9'R,10'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7 ]dodecan]-5'-en-10'-yl acetate
Other name (4):
15-Deacetylcalonectrin
15-デアセチルカロネクトリン
12,13-Epoxytrichothec-9-ene-3α,15-diol 3-acetate
3α-Acetoxy-15-hydroxy-12,13-epoxytrichotheca-9-ene
CAS registry number:
38818-66-5
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