Chem
J-GLOBAL ID：200907042745582995   Nikkaji number：J469.473B

Xestobergsterol A

キセストベルグステロールA
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： C27H44O5
Molecular formula furigana： C27-H44-O5
Molecular weight： 448.644
InChI： InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,25-,26-,27+/m1/s1
InChI key： NXIUUQKBFNWMSY-CMHQYQSPSA-N
SMILES： CC(C)C[C@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1[C@@H]3[C@@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
Systematic name  (3)：
  • (14β,23S)-3α,6α,7β,23-テトラヒドロキシ-16β,23-シクロ-5α-コレスタン-15-オン
  • (1R,2R,4S,5S,7R,8S,9R,12S,13R,16R,18S,19R,20R)-5,16,19,20-テトラヒドロキシ-7,9,13-トリメチル-5-(2-メチルプロピル)ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン-3-オン
  • (1R,2R,4S,5S,7R,8S,9R,12S,13R,16R,18S,19R,20R)-5,16,19,20-tetrahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
Other name (3)：
  • キセストベルグステロールA
  • Xestobergsterol A
  • (14β,23S)-3α,6α,7β,23-Tetrahydroxy-16β,23-cyclo-5α-cholestan-15-one
CAS registry number： 141272-45-9
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