Chem
J-GLOBAL ID:200907000783220300   Nikkaji number:J485.848D

WF-11605

WF-11605
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: C38H60O11
Molecular formula furigana: C38-H60-O11
Molecular weight: 692.887
InChI: InChI=1S/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19-,23-,24-,25+,27-,28+,29-,30+,31+,33+,35-,36+,37-,38+/m1/s1
InChI key: FBAPXRMZLULGNA-TVJNVOSNSA-N
SMILES: CC(C)[C@@H](C)[C@]1(C)[C@@H](C(=O)O)[C@]2(C)CCC3=C(CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C[C@]34C)OC(=O)C)[C@@]2(C)CC1=O
Systematic name  (3):
  • (1S)-9α-アセトキシ-2β-[(R)-1,2-ジメチルプロピル]-8β-(β-D-グルコピラノシルオキシ)-1,2,3,4,4a,5,6,6aα,7,8,9,10,10a,11,12,12a-ヘキサデカヒドロ-2,4aβ,7,7,10aβ,12aα-ヘキサメチル-3-オキソクリセン-1α-カルボン酸
  • (1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(アセチルオキシ)-2,4a,7,7,10a,12a-ヘキサメチル-2-[(2R)-3-メチルブタン-2-イル]-3-オキソ-8-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-ヘキサデカヒドロクリセン-1-カルボン酸
  • (1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
Other name (2):
  • WF-11605
  • (1S)-9α-Acetoxy-2β-[(R)-1,2-dimethylpropyl]-8β-(β-D-glucopyranosyloxy)-1,2,3,4,4a,5,6,6aα,7,8,9,10,10a,11,12,12a-hexadecahydro-2,4aβ,7,7,10aβ,12aα-hexamethyl-3-oxochrysene-1α-carboxylic acid
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