Chem
J-GLOBAL ID:200907017538701041   Nikkaji number:J2.473.413G

Jaborosalactone 39

ジャボロサラクトン39
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: C28H38O7
Molecular formula furigana: C28-H38-O7
Molecular weight: 486.605
InChI: InChI=1S/C28H38O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h16-20,22,31-32H,5-13H2,1-4H3/t16-,17-,18-,19+,20+,22+,24-,25-,26-,27+,28-/m0/s1
InChI key: JZXWLAXEZDBCCK-ULOYMMBOSA-N
SMILES: CC1=C(C)C(=O)O[C@H](C1)[C@H]1CO[C@@]2(O)C[C@H]3[C@@H](C[C@H]4O[C@@]54CCCC(=O)[C@]35C)[C@@H]3CC[C@@]1(O)[C@@]23C
Systematic name  (3):
  • (17S,20R,22R)-5,6β:12,21-ジエポキシ-12β,17,22-トリヒドロキシ-1-オキソ-5β-エルゴスタ-24-エン-26-酸26,22-ラクトン
  • (1S,2S,4R,6S,11R,12S,14S,17R,18S,21S)-17-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]-14,18-ジヒドロキシ-11,21-ジメチル-5,15-ジオキサヘキサシクロ[12.6.1.02,12.04,6.06,11.018,21]ヘンイコサン-10-オン
  • (1S,2S,4R,6S,11R,12S,14S,17R,18S,21S)-17-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-14,18-dihydroxy-11,21-dimethyl-5,15-dioxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosan-10-one
Other name (3):
  • (17S,20R,22R)-5,6β:12,21-Diepoxy-12β,17,22-trihydroxy-1-oxo-5β-ergosta-24-ene-26-oic acid 26,22-lactone
  • ジャボロサラクトン39
  • Jaborosalactone 39
Thsaurus map:

Return to Previous Page