Chem
J-GLOBAL ID：200907035725680692
Nikkaji number：J2.012.499G
Erythrodiol 3-O-linoleate
エリスロジオール3-O-リノレアート
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
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
Molecular formula： C48H80O3
Molecular formula furigana： C48-H80-O3
Molecular weight： 705.165
InChI：
InChI=1S/C48H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42(50)51-41-28-29-45(6)39(44(41,4)5)27-30-47(8)40(45)26-25-37-38-35-43(2,3)31-33-48(38,36-49)34-32-46(37,47)7/h14-17,25,38-41,49H,9-13,18-24,26-36H2,1-8H3/b15-14-,17-16-/t38-,39-,40+,41-,45-,46+,47+,48+/m0/s1
InChI key：
OBETZWSGUNDXCP-YHBUFNITSA-N
SMILES：
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
Systematic name (3)：
- 3β-[[(9Z,11Z)-1-オキソ-9,11-オクタデカジエン-1-イル]オキシ]オレアナ-12-エン-28-オール
- (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(ヒドロキシメチル)-4,4,6a,6b,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル (9Z,11Z)-オクタデカ-9,11-ジエノアート
- (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl (9Z,11Z)-octadeca-9,11-dienoate
- 3β-[[(9Z,11Z)-1-Oxo-9,11-octadecadiene-1-yl]oxy]oleana-12-ene-28-ol
- Erythrodiol 3-O-linoleate
- エルスリジオール3-O-リノレアート
- エリスロジオール3-O-リノレアート
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