Chem
J-GLOBAL ID:200907016310344404   Nikkaji number:J2.189.455I

(20R)-2α,3β,16,17-Tetrahydroxy-15,20:18,20-diepoxy-13,14:14,15-disecopregnane-5,13(18)-diene-14-oic acid 14,16-lactone

(20R)-2α,3β,16,17-テトラヒドロキシ-15,20:18,20-ジエポキシ-13,14:14,15-ジセコプレグナン-5,13(18)-ジエン-14-酸14,16-ラクトン
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: C21H28O7
Molecular formula furigana: C21-H28-O7
Molecular weight: 392.448
InChI: InChI=1S/C21H28O7/c1-19-8-16(23)15(22)7-11(19)3-5-13-14(19)6-4-12-9-26-20(2)21(12,25)17(10-27-20)28-18(13)24/h3,9,13-17,22-23,25H,4-8,10H2,1-2H3/t13-,14+,15-,16-,17?,19+,20+,21+/m1/s1
InChI key: IWVQHXSRWNYBMU-YSFZKBFKSA-N
SMILES: C[C@@]12OCC3OC(=O)[C@@H]4CC=C5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CCC(=CO1)[C@@]23O
Systematic name  (3):
  • (20R)-2α,3β,16,17-テトラヒドロキシ-15,20:18,20-ジエポキシ-13,14:14,15-ジセコプレグナン-5,13(18)-ジエン-14-酸14,16-ラクトン
  • (4S,5R,7R,8R,13R,19R,22S)-7,8,22-トリヒドロキシ-5,19-ジメチル-15,18,20-トリオキサペンタシクロ[14.5.1.04,13.05,10.019,22]ドコサ-1(21),10-ジエン-14-オン
  • (4S,5R,7R,8R,13R,19R,22S)-7,8,22-trihydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Other name (1):
  • (20R)-2α,3β,16,17-Tetrahydroxy-15,20:18,20-diepoxy-13,14:14,15-disecopregnane-5,13(18)-diene-14-oic acid 14,16-lactone
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