Chem
J-GLOBAL ID:200907059963969141
Nikkaji number:J717.059I
(17R,23S,24R)-11β-Hydroxy-17,23:24,25-diepoxyprotost-12-en-3-one
(17R,23S,24R)-11β-ヒドロキシ-17,23:24,25-ジエポキシプロトスタ-12-エン-3-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:
C30 H46 O4
Molecular formula furigana:
C30-H46-O4
Molecular weight:
470.694
InChI:
InChI=1S/C30H46O4/c1-17-15-19(24-26(4,5)34-24)33-30(17)14-13-28(7)21(30)16-18(31)23-27(6)11-10-22(32)25(2,3)20(27)9-12-29(23,28)8/h16-20,23-24,31H,9-15H2,1-8H3/t17-,18+,19+,20+,23+,24-,27+,28+,29+,30-/m1/s1
InChI key:
KHJLMHHIKQXHAV-FZUOWIMQSA-N
SMILES:
C[C@@H]1C[C@H](O[C@@]21CC[C@@]1(C)C2=C[C@H](O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)[C@H]1OC1(C)C
Systematic name (3):
(17R,23S,24R)-11β-ヒドロキシ-17,23:24,25-ジエポキシプロトスタ-12-エン-3-オン
(1R,3'R,3aR,3bS,5'S,5aR,9aS,9bS,10S)-5'-[(2R)-3,3-ジメチルオキシラン-2-イル]-10-ヒドロキシ-3',3a,3b,6,6,9a-ヘキサメチル-2,3,3a,3b,4,5,5a,6,7,8,9,9a,9b,10-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-オキソラン]-7-オン
(1R,3'R,3aR,3bS,5'S,5aR,9aS,9bS,10S)-5'-[(2R)-3,3-dimethyloxiran-2-yl]-10-hydroxy-3',3a,3b,6,6,9a-hexamethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9a,9b,10-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
Other name (1):
(17R,23S,24R)-11β-Hydroxy-17,23:24,25-diepoxyprotost-12-en-3-one
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