Chem
J-GLOBAL ID：200907096197405039   Nikkaji number：J355.503H

Daturametelin D

ダツラメテリンD
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： C29H40O5
Molecular formula furigana： C29-H40-O5
Molecular weight： 468.634
InChI： InChI=1S/C29H40O5/c1-27-13-12-22-18(9-8-17-6-5-7-25(30)29(17,22)3)20(27)10-11-21(27)19-15-33-28(2)14-24(19)34-26(31)23(28)16-32-4/h5,7-8,18-24H,6,9-16H2,1-4H3/t18-,19-,20-,21+,22-,23?,24+,27-,28+,29-/m0/s1
InChI key： QSAFWOIVMCIKKR-MZLZUQKWSA-N
SMILES： COCC1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,24R)-27-メトキシ-21,24:22,26-ジエポキシエルゴスタ-2,5-ジエン-1,26-ジオン
  • (1R,5R,8R)-8-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-ジメチル-9-オキソ-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-4-(メトキシメチル)-5-メチル-2,6-ジオキサビシクロ[3.3.1]ノナン-3-オン
  • (1R,5R,8R)-8-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-4-(methoxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
Other name (3)：
  • ダツラメテリンD
  • Daturametelin D
  • (22R,24R)-27-Methoxy-21,24:22,26-diepoxyergosta-2,5-diene-1,26-dione
Thsaurus map：
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