Chem
J-GLOBAL ID:200907085720594647
Nikkaji number:J2.655.584A
12-Isopropyl-13-hydroxy-14-deisopropyltotarane-8,11,13-triene-19-oic acid
12-イソプロピル-13-ヒドロキシ-14-デイソプロピルトタラン-8,11,13-トリエン-19-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 H28 O3
Molecular formula furigana:
C20-H28-O3
Molecular weight:
316.441
InChI:
InChI=1S/C20H28O3/c1-12(2)14-11-15-13(10-16(14)21)6-7-17-19(15,3)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20+/m1/s1
InChI key:
DBYRRXHVPLYICE-RLLQIKCJSA-N
SMILES:
CC(C)c1cc2c(CC[C@H]3[C@](C)(CCC[C@]23C)C(=O)O)cc1O
Systematic name (4):
12-イソプロピル-13-ヒドロキシ-14-デイソプロピルトタラン-8,11,13-トリエン-19-酸
1,4aβ-ジメチル-6-イソプロピル-7-ヒドロキシ-1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-1β-カルボン酸
(1S,4aS,10aR)-7-ヒドロキシ-1,4a-ジメチル-6-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-カルボン酸
(1S,4aS,10aR)-7-hydroxy-1,4a-dimethyl-6-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Other name (2):
12-Isopropyl-13-hydroxy-14-deisopropyltotarane-8,11,13-triene-19-oic acid
1,4aβ-Dimethyl-6-isopropyl-7-hydroxy-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1β-carboxylic acid
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