Chem
J-GLOBAL ID：200907023173043872
Nikkaji number：J425.299C
MC-1288
MC-1288
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
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
Molecular formula： C27H44O3
Molecular formula furigana： C27-H44-O3
Molecular weight： 416.646
InChI：
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23+,24-,25-,27+/m0/s1
InChI key：
GMRQFYUYWCNGIN-WJBPREEXSA-N
SMILES：
C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name (6)：
- (20S)-1α,25-ジヒドロキシコレカルシフェロール
- (14S,20S)-1α,25-ジヒドロキシコレカルシフェロール
- (5Z,7E,20S)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
- (5Z,7E,20S)-1α,3β,25-トリヒドロキシ-9,10-セココレスタ-5,7,10(19)-トリエン
- (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデンシクロヘキサン-1,3-ジオール
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- MC-1288
- (20S)-1α,25-Dihydroxycholecalciferol
- 20-epi-1α,25-ジヒドロキシビタミンD3
- 20-epi-1α,25-Dihydroxyvitamin D3
- 20-epi-カルシトリオール
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