Chem
J-GLOBAL ID：200907066215875602   Nikkaji number：J643.710I

Xestobergsterol C

キセストベルグステロールC
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： C27H44O6
Molecular formula furigana： C27-H44-O6
Molecular weight： 464.643
InChI： InChI=1S/C27H44O6/c1-12(2)9-27(33)10-13(3)19-21(27)24(32)20-18-14(6-7-25(19,20)4)26(5)11-17(29)16(28)8-15(26)22(30)23(18)31/h12-23,28-31,33H,6-11H2,1-5H3/t13-,14+,15-,16+,17+,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1
InChI key： IDHRDQMFJYOCOC-IPKCJDDUSA-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)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]21C
Systematic name  (3)：
  • (14β,16S,17S,23R)-2β,3α,6α,7β,23-ペンタヒドロキシ-16,23-シクロ-5α-コレスタン-15-オン
  • (1R,2R,4S,5R,7R,8S,9R,12S,13R,15S,16S,18S,19R,20R)-5,15,16,19,20-ペンタヒドロキシ-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,5R,7R,8S,9R,12S,13R,15S,16S,18S,19R,20R)-5,15,16,19,20-pentahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
Other name (2)：
  • キセストベルグステロールC
  • Xestobergsterol C
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