Chem
J-GLOBAL ID:200907070211193385
Nikkaji number:J991.880I
Dihydrocolumellarin
ジヒドロコルメラリン
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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:
C15 H22 O2
Molecular formula furigana:
C15-H22-O2
Molecular weight:
234.339
InChI:
InChI=1S/C15H22O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h8,10,12-14H,4-7H2,1-3H3/t8-,10-,12+,13-,14+/m1/s1
InChI key:
LGGWYHIMEGQREQ-WLWLIVMJSA-N
SMILES:
C[C@@H]1CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12
Systematic name (3):
(3R)-3aα,4,4aα,5,6,7,9,9aβ-オクタヒドロ-3α,5α,8-トリメチルアズレノ[6,5-b]フラン-2(3H)-オン
(3R,3aR,4aS,5R,9aS)-3,5,8-トリメチル-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-アズレノ[6,5-b]フラン-2-オン
(3R,3aR,4aS,5R,9aS)-3,5,8-trimethyl-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-azuleno[6,5-b]furan-2-one
Other name (3):
(3R)-3aα,4,4aα,5,6,7,9,9aβ-Octahydro-3α,5α,8-trimethylazuleno[6,5-b]furan-2(3H)-one
ジヒドロコルメラリン
Dihydrocolumellarin
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