Chem
J-GLOBAL ID:201807015603834043
Nikkaji number:J3.690.613H
Nectrianolin B
ネクトリアノリン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:
C26 H38 O7
Molecular formula furigana:
C26-H38-O7
Molecular weight:
462.583
InChI:
InChI=1S/C26H38O7/c1-15(9-10-25(5)16(2)7-6-8-17(25)3)11-20(28)26-21(29)13-19(23(31)24(26)33-26)14-32-22(30)12-18(4)27/h7,11,13,17-18,20,23-24,27-28,31H,6,8-10,12,14H2,1-5H3/b15-11+/t17-,18-,20+,23-,24+,25-,26-/m1/s1
InChI key:
OFSSRZNLGJTEKA-WMQOLYJXSA-N
SMILES:
C[C@@H](O)CC(=O)OCC1=CC(=O)[C@]2(O[C@H]2[C@@H]1O)[C@@H](O)/C=C(\C)/CC[C@@]1(C)[C@H](C)CCC=C1C
Systematic name (3):
(R)-3-ヒドロキシブタン酸[(1α)-2α-ヒドロキシ-5-オキソ-6α-[(1S,2E)-1-ヒドロキシ-3-メチル-5-(1,2,6β-トリメチル-2-シクロヘキセン-1α-イル)-2-ペンテニル]-7-オキサビシクロ[4.1.0]ヘプタ-3-エン-3-イル]メチル
[(1S,2R,6S)-2-ヒドロキシ-6-[(1S,2E)-1-ヒドロキシ-3-メチル-5-[(1S,6R)-1,2,6-トリメチルシクロヘキサ-2-エン-1-イル]ペンタ-2-エン-1-イル]-5-オキソ-7-オキサビシクロ[4.1.0]ヘプタ-3-エン-3-イル]メチル (3R)-3-ヒドロキシブタノアート
[(1S,2R,6S)-2-hydroxy-6-[(1S,2E)-1-hydroxy-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-yl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (3R)-3-hydroxybutanoate
Other name (3):
(R)-3-Hydroxybutanoic acid [(1α)-2α-hydroxy-5-oxo-6α-[(1S,2E)-1-hydroxy-3-methyl-5-(1,2,6β-trimethyl-2-cyclohexene-1α-yl)-2-pentenyl]-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]methyl ester
ネクトリアノリンB
Nectrianolin B
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