Chem
J-GLOBAL ID:200907056917883543
Nikkaji number:J1.275.026I
2α-Me-1α,25-(OH)2 -D3
1α,25-ジヒドロキシ-2α-メチルビタミンD3
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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:
C28 H46 O3
Molecular formula furigana:
C28-H46-O3
Molecular weight:
430.673
InChI:
InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1
InChI key:
PSWKLSOBPNHZSY-GEMNOXHFSA-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@H](C)[C@H](O)C3=C)/CCC[C@]12C
Systematic name (7):
1α,25-ジヒドロキシ-2α-メチルコレカルシフェロール
(1S,2S,3R,5Z,7E)-2-メチル-9,10-セココレスタ-5,7,10(19)-トリエン-1,3,25-トリオール
(5Z,7E)-2α-メチル-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
(14S)-1α,25-ジヒドロキシ-2α-メチルコレカルシフェロール
2α-メチル-1α,25-ジヒドロキシコレカルシフェロール
(1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-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}-2-メチル-4-メチリデンシクロヘキサン-1,3-ジオール
(1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methyl-4-methylidenecyclohexane-1,3-diol
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Other name (9):
1α,25-Dihydroxy-2α-methylcholecalciferol
1α,25-ジヒドロキシ-2α-メチルビタミンD3
(1S,2S,3R,5Z,7E)-2-Methyl-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
(5Z,7E)-2α-Methyl-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
2α-Me-1α,25-(OH)2 -D3
(14S)-1α,25-Dihydroxy-2α-methylcholecalciferol
2α-Methyl-1α,25-dihydroxyvitamin D3
2α-メチル-1α,25-ジヒドロキシビタミンD3
2α-Methyl-1α,25-dihydroxycholecalciferol
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