Chem
J-GLOBAL ID:200907050262772664   Nikkaji number:J2.443.958E

24-(β-D-Xylopyranosyloxy)cholestane-3,6,8,15-tetraol 3-sulfate

24-(β-D-キシロピラノシルオキシ)コレスタン-3,6,8,15-テトラオール3-スルファート
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: C32H56O12S
Molecular formula furigana: C32-H56-O12-S
Molecular weight: 664.850
InChI: InChI=1S/C32H56O12S/c1-16(2)24(43-29-27(37)26(36)23(35)15-42-29)7-6-17(3)19-13-21(33)28-31(19,5)11-9-25-30(4)10-8-18(44-45(39,40)41)12-20(30)22(34)14-32(25,28)38/h16-29,33-38H,6-15H2,1-5H3,(H,39,40,41)/t17-,18?,19-,20?,21?,22?,23-,24?,25-,26+,27-,28-,29+,30+,31-,32+/m1/s1
InChI key: CTVYBBZGUXOEAT-ZBAHUBLTSA-N
SMILES: CC(C)C(CC[C@@H](C)[C@H]1CC(O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(CC3C(O)C[C@@]21O)OS(=O)(=O)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 24-(β-D-キシロピラノシルオキシ)コレスタン-3,6,8,15-テトラオール3-スルファート
  • [(1R,3aS,3bS,9aS,9bR,11aR)-3,3b,5-トリヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチル-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}ヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシダンスルホン酸
  • [(1R,3aS,3bS,9aS,9bR,11aR)-3,3b,5-trihydroxy-9a,11a-dimethyl-1-[(2R)-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}heptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
Other name (1):
  • 24-(β-D-Xylopyranosyloxy)cholestane-3,6,8,15-tetraol 3-sulfate
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