Chem
J-GLOBAL ID：201707013258690343   Nikkaji number：J3.554.061J

Verruculide A

ベルクリド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： C25H30O5
Molecular formula furigana： C25-H30-O5
Molecular weight： 410.510
InChI： InChI=1S/C25H30O5/c1-13-10-15-14-11-19-24(4)8-7-20(27)23(2,3)18(24)6-9-25(19,5)30-17(14)12-16(26)21(15)22(28)29-13/h7-8,12-13,18-19,26H,6,9-11H2,1-5H3/t13-,18+,19+,24+,25+/m1/s1
InChI key： KSQRSKKEHRYRCT-IZCXAEKASA-N
SMILES： [C@@H]12Cc3c4C[C@H](OC(=O)c4c(cc3O[C@]1(CC[C@H]1C(C(=O)C=C[C@]21C)(C)C)C)O)C
Systematic name  (3)：
  • (1S,6R,14S,17R,22S)-10-ヒドロキシ-6,14,18,18,22-ペンタメチル-7,13-ジオキサペンタシクロ[12.8.0.03,12.04,9.017,22]ドコサ-3,9,11,20-テトラエン-8,19-ジオン
  • (1S,6R,14S,17R,22S)-10-hydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3,9,11,20-tetraene-8,19-dione
  • 5-ヒドロキシ-2β,7aα,10,10,13aβ-ペンタメチル-1,2,7a,8,9,9a,10,11,13a,13b-デカヒドロ-4H-3-オキサ-14H-ジベンゾ[a,j]キサンテン-4,11-ジオン
Other name (2)：
  • ベルクリドA
  • Verruculide A
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