Chem
J-GLOBAL ID:200907085627924602
Nikkaji number:J716.304E
(23S,24R)-11β,23,24-Triacetoxy-25-hydroxyprotost-13(17)-ene-3,16-dione
(23S,24R)-11β,23,24-トリアセトキシ-25-ヒドロキシプロトスタ-13(17)-エン-3,16-ジオン
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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:
C36 H54 O9
Molecular formula furigana:
C36-H54-O9
Molecular weight:
630.819
InChI:
InChI=1S/C36H54O9/c1-19(16-26(44-21(3)38)31(33(7,8)42)45-22(4)39)29-23-17-25(43-20(2)37)30-34(9)14-13-28(41)32(5,6)27(34)12-15-35(30,10)36(23,11)18-24(29)40/h19,25-27,30-31,42H,12-18H2,1-11H3/t19-,25+,26+,27+,30+,31-,34+,35+,36+/m1/s1
InChI key:
GTLUWDRKMSMGJL-CZRZOUGISA-N
SMILES:
C[C@H](C[C@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)O)C1=C2C[C@H](OC(=O)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
Systematic name (3):
(23S,24R)-11β,23,24-トリアセトキシ-25-ヒドロキシプロトスタ-13(17)-エン-3,16-ジオン
(3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-(アセチルオキシ)-3a,3b,6,6,9a-ペンタメチル-2,7-ジオキソ-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-シクロペンタ[a]フェナントレン-1-イル]-3-(アセチルオキシ)-2-ヒドロキシ-2-メチルヘプタン-4-イル アセタート
(3R,4S,6R)-6-[(3aR,3bS,5aR,9aS,9bS,10S)-10-(acetyloxy)-3a,3b,6,6,9a-pentamethyl-2,7-dioxo-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-3-(acetyloxy)-2-hydroxy-2-methylheptan-4-yl acetate
Other name (1):
(23S,24R)-11β,23,24-Triacetoxy-25-hydroxyprotost-13(17)-ene-3,16-dione
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