Chem
J-GLOBAL ID:200907098120309730
Nikkaji number:J6.272C
Diosgenin
ジオスゲニン
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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:
C27 H42 O3
Molecular formula furigana:
C27-H42-O3
Molecular weight:
414.630
InChI:
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI key:
WQLVFSAGQJTQCK-VKROHFNGSA-N
SMILES:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@@H](C)CO2
Systematic name (5):
(25R)-スピロスタ-5-エン-3β-オール
(25R)-3β-ヒドロキシスピロスタ-5-エン
(22R,25R)-スピロスタ-5-エン-3β-オール
(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサン]-18'-エン-16'-オール
(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9 .04,8 .013,18 ]icosan]-18'-en-16'-ol
Other name (9):
ニトゲニン
ジオスゲニン
Diosgenin
Nitogenin
(25R)-Spirost-5-en-3β-ol
(25R)-3β-Hydroxyspirosta-5-ene
(22R,25R)-Spirosta-5-ene-3β-ol
22-epi-ジオスゲニン
22-epi-Diosgenin
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CAS registry number:
512-04-9
Regulation number (3):
8-(4)-723
WH1322870
EINECS2081343
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