Chem
J-GLOBAL ID:200907077332092165
Nikkaji number:J602.383E 7α-Hydroxy-4-cholesten-3-one 7α-ヒドロキシ-4-コレステン-3-オン
Download MOL file 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 H44 O2 Molecular formula furigana:
C27-H44-O2
Molecular weight:
400.647
InChI:
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI key:
IOIZWEJGGCZDOL-RQDYSCIWSA-N
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name (3): 7α-ヒドロキシコレスタ-4-エン-3-オン (1R,3aS,3bS,4R,9aR,9bS,11aR)-4-ヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン (1R,3aS,3bS,4R,9aR,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one Other name (3): 7α-Hydroxycholest-4-en-3-one 7α-ヒドロキシ-4-コレステン-3-オン 7α-Hydroxy-4-cholesten-3-one CAS registry number:
3862-25-7
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