Chem
J-GLOBAL ID:201507012156957468
Nikkaji number:J3.446.167H
Dysosesquiflorin B
ジソセスキフロリンB
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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:
C23 H40 O3
Molecular formula furigana:
C23-H40-O3
Molecular weight:
364.570
InChI:
InChI=1S/C23H40O3/c1-7-16(14(2)3)12-19(24)26-13-22(5)18-10-11-23(6,25)17-9-8-15(4)20(17)21(18)22/h14-18,20-21,25H,7-13H2,1-6H3/t15-,16?,17-,18-,20-,21-,22+,23-/m1/s1
InChI key:
NHPJRMTXHRRMTI-CECKTSQRSA-N
SMILES:
CCC(CC(=O)OC[C@@]1(C)[C@@H]2CC[C@@](C)(O)[C@@H]3CC[C@@H](C)[C@H]3[C@H]12)C(C)C
Systematic name (3):
3-イソプロピル吉草酸((1aR,1aβ,4aβ,7aα,7bβ)-1α,4α,7β-トリメチル-4β-ヒドロキシデカヒドロ-1H-シクロプロパ[e]アズレン-1β-イル)メチル
[(1S,1aR,4R,4aR,7R,7aS,7bS)-4-ヒドロキシ-1,4,7-トリメチル-デカヒドロ-1H-シクロプロパ[e]アズレン-1-イル]メチル 3-エチル-4-メチルペンタノアート
[(1S,1aR,4R,4aR,7R,7aS,7bS)-4-hydroxy-1,4,7-trimethyl-decahydro-1H-cyclopropa[e]azulen-1-yl]methyl 3-ethyl-4-methylpentanoate
Other name (3):
3-Isopropylvaleric acid ((1aR,1aβ,4aβ,7aα,7bβ)-1α,4α,7β-trimethyl-4β-hydroxydecahydro-1H-cyclopropa[e]azulene-1β-yl)methyl ester
ジソセスキフロリンB
Dysosesquiflorin B
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