Chem
J-GLOBAL ID:200907009620393166
Nikkaji number:J2.642.843B
(12S)-12,15-Epidioxy-3,4-secolabdane-4(18),8(20),13-trien-3-oic acid
(12S)-12,15-エピジオキシ-3,4-セコラブダン-4(18),8(20),13-トリエン-3-酸
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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 H30 O4
Molecular formula furigana:
C20-H30-O4
Molecular weight:
334.456
InChI:
InChI=1S/C20H30O4/c1-13(2)16-7-6-14(3)17(20(16,5)10-8-19(21)22)12-18-15(4)9-11-23-24-18/h9,16-18H,1,3,6-8,10-12H2,2,4-5H3,(H,21,22)/t16-,17-,18-,20-/m0/s1
InChI key:
GHUBXQZLOXKAHB-JPLJXNOCSA-N
SMILES:
CC(=C)[C@@H]1CCC(=C)[C@H](C[C@@H]2OOCC=C2C)[C@@]1(C)CCC(=O)O
Systematic name (3):
(12S)-12,15-エピジオキシ-3,4-セコラブダン-4(18),8(20),13-トリエン-3-酸
3-[(1S,2S,6S)-1-メチル-2-{[(3S)-4-メチル-3,6-ジヒドロ-1,2-ジオキシン-3-イル]メチル}-3-メチリデン-6-(プロパ-1-エン-2-イル)シクロヘキシル]プロパン酸
3-[(1S,2S,6S)-1-methyl-2-{[(3S)-4-methyl-3,6-dihydro-1,2-dioxin-3-yl]methyl}-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl]propanoic acid
Other name (1):
(12S)-12,15-Epidioxy-3,4-secolabdane-4(18),8(20),13-trien-3-oic acid
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