Chem
J-GLOBAL ID:200907074515993243
Nikkaji number:J1.918.498F
7β-Methoxy-1β(11)-oxyabieta-8,11,13-triene-6α,12-diol
7β-メトキシ-1β(11)-オキシアビエタ-8,11,13-トリエン-6α,12-ジオール
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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:
C21 H30 O4
Molecular formula furigana:
C21-H30-O4
Molecular weight:
346.467
InChI:
InChI=1S/C21H30O4/c1-10(2)11-9-12-14-18(15(11)22)25-13-7-8-20(3,4)19(21(13,14)5)16(23)17(12)24-6/h9-10,13,16-17,19,22-23H,7-8H2,1-6H3/t13-,16+,17-,19+,21-/m1/s1
InChI key:
YLLIQVMJPNPYBS-ILOBWFOBSA-N
SMILES:
CO[C@H]1[C@H](O)[C@@H]2[C@]3(C)[C@@H](CCC2(C)C)Oc2c3c1cc(C(C)C)c2O
Systematic name (3):
7β-メトキシ-1β(11)-オキシアビエタ-8,11,13-トリエン-6α,12-ジオール
(6R,7R,8S,12R,13S)-6-メトキシ-9,9,13-トリメチル-3-(プロパン-2-イル)-15-オキサテトラシクロ[10.2.1.05,14 .08,13 ]ペンタデカ-1(14),2,4-トリエン-2,7-ジオール
(6R,7R,8S,12R,13S)-6-methoxy-9,9,13-trimethyl-3-(propan-2-yl)-15-oxatetracyclo[10.2.1.05,14 .08,13 ]pentadeca-1(14),2,4-triene-2,7-diol
Other name (1):
7β-Methoxy-1β(11)-oxyabieta-8,11,13-triene-6α,12-diol
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