Chem
J-GLOBAL ID：200907089684453930   Nikkaji number：J838.238G

(22R,23R,24S)-22,23-Epoxy-6-oxo-B-homo-7-oxa-5α-ergostane-2α,3α-dipropionic acidester

(22R,23R,24S)-22,23-エポキシ-6-オキソ-B-ホモ-7-オキサ-5α-エルゴスタン-2α,3α-ジプロピオン酸エステル
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： C34H54O7
Molecular formula furigana： C34-H54-O7
Molecular weight： 574.799
InChI： InChI=1S/C34H54O7/c1-18(2)19(3)30-31(41-30)20(4)24-9-10-25-23-17-40-32(39)27-15-21(7-11-28(35)36)22(8-12-29(37)38)16-34(27,6)26(23)13-14-33(24,25)5/h18-27,30-31H,7-17H2,1-6H3,(H,35,36)(H,37,38)/t19-,20-,21-,22+,23-,24+,25-,26-,27+,30+,31+,33+,34+/m0/s1
InChI key： BYJYDIIJARBDSP-ACFHMDRJSA-N
SMILES： CC(C)[C@H](C)[C@H]1O[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](CCC(=O)O)[C@H](CCC(=O)O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,23R,24S)-22,23-エポキシ-6-オキソ-B-ホモ-7-オキサ-5α-エルゴスタン-2α,3α-ジプロピオン酸エステル
  • 3-[(1S,2R,4R,5S,7S,11S,12S,15R,16S)-4-(2-カルボキシエチル)-2,16-ジメチル-15-[(1S)-1-[(2R,3R)-3-[(2S)-3-メチルブタン-2-イル]オキシラン-2-イル]エチル]-8-オキソ-9-オキサテトラシクロ[9.7.0.02,7.012,16]オクタデカン-5-イル]プロパン酸
  • 3-[(1S,2R,4R,5S,7S,11S,12S,15R,16S)-4-(2-carboxyethyl)-2,16-dimethyl-15-[(1S)-1-[(2R,3R)-3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-8-oxo-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-5-yl]propanoic acid
Other name (1)：
  • (22R,23R,24S)-22,23-Epoxy-6-oxo-B-homo-7-oxa-5α-ergostane-2α,3α-dipropionic acidester
Thsaurus map：
Thesaurus Map

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