Chem
J-GLOBAL ID:200907072072402570
Nikkaji number:J2.747.120J
4-Hydroxy-4-[(3R)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-2-cyclohexene-1-one
4-ヒドロキシ-4-[(3R)-3-ヒドロキシ-1-ブテニル]-3,5,5-トリメチル-2-シクロヘキセン-1-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:
C13 H20 O3
Molecular formula furigana:
C13-H20-O3
Molecular weight:
224.300
InChI:
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/t10-,13?/m1/s1
InChI key:
KPQMCAKZRXOZLB-VUUHIHSGSA-N
SMILES:
C[C@@H](O)C=CC1(O)C(=CC(=O)CC1(C)C)C
Systematic name (3):
4-ヒドロキシ-4-[(3R)-3-ヒドロキシ-1-ブテニル]-3,5,5-トリメチル-2-シクロヘキセン-1-オン
4-ヒドロキシ-4-[(3R)-3-ヒドロキシブタ-1-エン-1-イル]-3,5,5-トリメチルシクロヘキサ-2-エン-1-オン
4-hydroxy-4-[(3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
Other name (1):
4-Hydroxy-4-[(3R)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-2-cyclohexene-1-one
Thsaurus map:
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