Chem
J-GLOBAL ID:200907031719173309
Nikkaji number:J15.883F
Paniculide B
パニクリド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:
C15 H20 O5
Molecular formula furigana:
C15-H20-O5
Molecular weight:
280.320
InChI:
InChI=1S/C15H20O5/c1-8(2)4-3-5-9-11-10(19-14(9)18)6-15(7-16)13(20-15)12(11)17/h4,10,12-13,16-17H,3,5-7H2,1-2H3/t10-,12-,13-,15-/m0/s1
InChI key:
LQGGFVAMWSRTCC-NHULGOKLSA-N
SMILES:
CC(=CCCC1=C2[C@H](C[C@@]3(CO)O[C@H]3[C@H]2O)OC1=O)C
Systematic name (3):
(1aS)-2,2aβ,6,6aβ-テトラヒドロ-6α-ヒドロキシ-1a-(ヒドロキシメチル)-5-(4-メチル-3-ペンテニル)オキシレノ[f]ベンゾフラン-4(1aH)-オン
(2S,3S,5S,7S)-2-ヒドロキシ-5-(ヒドロキシメチル)-10-(4-メチルペンタ-3-エン-1-イル)-4,8-ジオキサトリシクロ[5.3.0.03,5 ]デカ-1(10)-エン-9-オン
(2S,3S,5S,7S)-2-hydroxy-5-(hydroxymethyl)-10-(4-methylpent-3-en-1-yl)-4,8-dioxatricyclo[5.3.0.03,5 ]dec-1(10)-en-9-one
Other name (5):
パニクリドB
Paniculide B
(1aS)-2,2aβ,6,6aβ-Tetrahydro-6α-hydroxy-1a-(hydroxymethyl)-5-(4-methyl-3-pentenyl)oxireno[f]benzofuran-4(1aH)-one
(+)-パニクリドB
(+)-Paniculide B
CAS registry number:
21764-33-0
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