Chem
J-GLOBAL ID：200907053663714640   Nikkaji number：J452.087D

(2R)-5-Hydroxy-2-[[(3S)-3β,24-dihydroxyolean-12-en-22β-yl]oxy]-6-methyl-2H-pyran-4(3H)-one

(2R)-5-ヒドロキシ-2-[[(3S)-3β,24-ジヒドロキシオレアナ-12-エン-22β-イル]オキシ]-6-メチル-2H-ピラン-4(3H)-オン
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： C36H56O6
Molecular formula furigana： C36-H56-O6
Molecular weight： 584.838
InChI： InChI=1S/C36H56O6/c1-21-30(40)24(38)17-29(41-21)42-28-19-31(2,3)18-23-22-9-10-26-33(5)13-12-27(39)34(6,20-37)25(33)11-14-36(26,8)35(22,7)16-15-32(23,28)4/h9,23,25-29,37,39-40H,10-20H2,1-8H3/t23-,25+,26+,27-,28+,29-,32+,33-,34+,35+,36+/m0/s1
InChI key： BYNMWRSQUIGRPW-QHOKWWAOSA-N
SMILES： CC1=C(O)C(=O)C[C@H](O[C@@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)O1
Systematic name  (3)：
  • (2R)-5-ヒドロキシ-2-[[(3S)-3β,24-ジヒドロキシオレアナ-12-エン-22β-イル]オキシ]-6-メチル-2H-ピラン-4(3H)-オン
  • (2R)-2-{[(4R,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-10-ヒドロキシ-9-(ヒドロキシメチル)-2,2,4a,6a,6b,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4-イル]オキシ}-5-ヒドロキシ-6-メチル-3,4-ジヒドロ-2H-ピラン-4-オン
  • (2R)-2-{[(4R,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl]oxy}-5-hydroxy-6-methyl-3,4-dihydro-2H-pyran-4-one
Other name (1)：
  • (2R)-5-Hydroxy-2-[[(3S)-3β,24-dihydroxyolean-12-en-22β-yl]oxy]-6-methyl-2H-pyran-4(3H)-one
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