Chem
J-GLOBAL ID:201607020205237352
Nikkaji number:J3.480.963A
1α-Acetoxy-14β-hydroxy-7α,20-epoxykaura-16-ene-15-one
1α-アセトキシ-14β-ヒドロキシ-7α,20-エポキシカウラ-16-エン-15-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:
C22 H30 O5
Molecular formula furigana:
C22-H30-O5
Molecular weight:
374.477
InChI:
InChI=1S/C22H30O5/c1-11-13-5-6-14-21-10-26-17(22(14,18(11)24)19(13)25)9-15(21)20(3,4)8-7-16(21)27-12(2)23/h13-17,19,25H,1,5-10H2,2-4H3/t13-,14-,15+,16-,17+,19+,21-,22-/m0/s1
InChI key:
KUKFAPDGFPBGPS-PUFYUQCQSA-N
SMILES:
CC(=O)O[C@H]1CCC(C)(C)[C@H]2C[C@H]3OC[C@@]12[C@@H]1CC[C@@H]2[C@@H](O)[C@]31C(=O)C2=C
Systematic name (3):
1α-アセトキシ-14β-ヒドロキシ-7α,20-エポキシカウラ-16-エン-15-オン
(1R,2S,5S,8S,9R,11R,15S,18R)-18-ヒドロキシ-12,12-ジメチル-6-メチリデン-7-オキソ-17-オキサペンタシクロ[7.6.2.15,8 .01,11 .02,8 ]オクタデカン-15-イル アセタート
(1R,2S,5S,8S,9R,11R,15S,18R)-18-hydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8 .01,11 .02,8 ]octadecan-15-yl acetate
Other name (1):
1α-Acetoxy-14β-hydroxy-7α,20-epoxykaura-16-ene-15-one
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