Chem
J-GLOBAL ID：200907026133456871   Nikkaji number：J500.252D

Withaminimin

ウィタミニミン
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： C30H40O8
Molecular formula furigana： C30-H40-O8
Molecular weight： 528.642
InChI： InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1
InChI key： REOWXEUUAXLCRM-DTRRUJLXSA-N
SMILES： C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)C1=C[C@H](OC(=O)C)[C@@]2(O)[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • (22R)-15α-アセトキシ-5,6β,14,22-テトラヒドロキシ-1-オキソ-5α-エルゴスタ-2,16,24-トリエン-26-酸δ-ラクトン
  • (22R)-1-オキソ-5α,6β,14α,22-テトラヒドロキシ-15α-アセトキシエルゴスタ-2,16,24-トリエン-26-酸δ-ラクトン
  • (3S,3aR,3bR,5R,5aR,9aR,9bS,11aR)-1-[(1S)-1-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-3a,5,5a-トリヒドロキシ-9a,11a-ジメチル-9-オキソ-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-3-イル アセタート
  • (3S,3aR,3bR,5R,5aR,9aR,9bS,11aR)-1-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-3a,5,5a-trihydroxy-9a,11a-dimethyl-9-oxo-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl acetate
Other name (4)：
  • ウィタミニミン
  • Withaminimin
  • (22R)-15α-Acetoxy-5,6β,14,22-tetrahydroxy-1-oxo-5α-ergosta-2,16,24-trien-26-oic acid δ-lactone
  • (22R)-1-Oxo-5α,6β,14α,22-tetrahydroxy-15α-acetoxyergosta-2,16,24-triene-26-oic acid δ-lactone
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