Chem
J-GLOBAL ID：200907007306846323   Nikkaji number：J1.317.011H

Xerophilusin B

キセロフィルシンB
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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)14(22)20(23)19(11,13(9)21)15(10)24-16(18)25-20/h10-12,14-16,22-23H,1,4-8H2,2-3H3/t10-,11-,12+,14-,15-,16?,18+,19+,20+/m0/s1
InChI key： ZKUQCTVJZQFAKY-FQGLVPFRSA-N
SMILES： CC1(C)CCC[C@@]23C4O[C@H]5[C@H]6CC[C@@H]2[C@]5(C(=O)C6=C)[C@](O)(O4)[C@@H](O)[C@H]13
Systematic name  (3)：
  • (14S)-6β,7-ジヒドロキシ-7α,20:14,20-ジエポキシカウラ-16-エン-15-オン
  • (1R,2S,5S,8S,9S,13S,14S,15R)-13,14-ジヒドロキシ-16,16-ジメチル-6-メチリデン-10,12-ジオキサヘキサシクロ[9.8.0.01,15.02,8.05,9.08,13]ノナデカン-7-オン
  • (1R,2S,5S,8S,9S,13S,14S,15R)-13,14-dihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
Other name (3)：
  • (14S)-6β,7-Dihydroxy-7α,20:14,20-diepoxykaura-16-ene-15-one
  • キセロフィルシンB
  • Xerophilusin B
CAS registry number： 167894-15-7
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