Chem
J-GLOBAL ID:200907002739575730
Nikkaji number:J491.128H
3α-Methylgibberellin A4
3α-メチルジベレリンA4
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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:
C20 H26 O5
Molecular formula furigana:
C20-H26-O5
Molecular weight:
346.423
InChI:
InChI=1S/C20H26O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-17(2,24)18(3,16(23)25-20)14(20)13(19)15(21)22/h11-14,24H,1,4-9H2,2-3H3,(H,21,22)/t11-,12-,13-,14-,17+,18-,19+,20-/m1/s1
InChI key:
RGXPYFHGPLNFBF-XZDCJOGDSA-N
SMILES:
C[C@]12[C@H]3[C@H](C(=O)O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@]1(C)O)OC2=O)C(=C)C5
Systematic name (3):
2β,4aα-ジヒドロキシ-1β,2α-ジメチル-8-メチレンギバン-1α,10β-ジカルボン酸1,4a-ラクトン
(1R,2R,5R,8R,9S,10R,11S,12S)-12-ヒドロキシ-11,12-ジメチル-6-メチリデン-16-オキソ-15-オキサペンタシクロ[9.3.2.15,8 .01,10 .02,8 ]ヘプタデカン-9-カルボン酸
(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11,12-dimethyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8 .01,10 .02,8 ]heptadecane-9-carboxylic acid
Other name (3):
3α-メチルジベレリンA4
3α-Methylgibberellin A4
2β,4aα-Dihydroxy-1β,2α-dimethyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
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