Chem
J-GLOBAL ID:200907088212150520
Nikkaji number:J2.363.221G
21,23-Dihydro-23-hydroxy-21-oxodeacetylnomilin
21,23-ジヒドロ-23-ヒドロキシ-21-オキソデアセチルノミリン
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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 H32 O10
Molecular formula furigana:
C26-H32-O10
Molecular weight:
504.532
InChI:
InChI=1S/C26H32O10/c1-22(2)13-9-15(28)25(5)12(24(13,4)14(27)10-17(30)35-22)6-7-23(3)18(11-8-16(29)33-20(11)31)34-21(32)19-26(23,25)36-19/h8,12-14,16,18-19,27,29H,6-7,9-10H2,1-5H3/t12-,13+,14?,16?,18+,19-,23+,24-,25+,26-/m1/s1
InChI key:
PHVHHFHIPAQRPP-LRHBERJLSA-N
SMILES:
C[C@@]12CC[C@@H]3[C@]4(C)[C@@H](CC(=O)[C@@]3(C)[C@@]31O[C@@H]3C(=O)O[C@H]2C1=CC(O)OC1=O)C(C)(C)OC(=O)CC4O
Systematic name (3):
1α,23-ジヒドロキシ-1,2,21,23-テトラヒドロ-21-オキソオバクン酸ε-ラクトン
(1R,2R,4S,7R,8S,11R,12R,18R)-13-ヒドロキシ-7-(5-ヒドロキシ-2-オキソ-2,5-ジヒドロフラン-3-イル)-1,8,12,17,17-ペンタメチル-3,6,16-トリオキサペンタシクロ[9.9.0.02,4 .02,8 .012,18 ]イコサン-5,15,20-トリオン
(1R,2R,4S,7R,8S,11R,12R,18R)-13-hydroxy-7-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4 .02,8 .012,18 ]icosane-5,15,20-trione
Other name (3):
1α,23-Dihydroxy-1,2,21,23-tetrahydro-21-oxoobacunoic acid ε-lactone
21,23-ジヒドロ-23-ヒドロキシ-21-オキソデアセチルノミリン
21,23-Dihydro-23-hydroxy-21-oxodeacetylnomilin
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