Chem
J-GLOBAL ID:200907075536035281
Nikkaji number:J428.157H
KH-1060
KH-1060
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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:
C29 H48 O4
Molecular formula furigana:
C29-H48-O4
Molecular weight:
460.699
InChI:
InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25+,26-,27-,28+/m0/s1
InChI key:
KLZOTDOJMRMLDX-BEZYGUFHSA-N
SMILES:
CCC(O)(CC)CCCO[C@@H](C)[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 (7):
(20S)-24a-ホモ-26,27-ジメチル-1α,25-ジヒドロキシ-22-オキサコレカルシフェロール
(20S)-1α,26-ジヒドロキシ-25-デメチル-26,26-ジエチル-22-オキサコレカルシフェロール
(5Z,7E)-26,26-ジエチル-22-オキサ-27-ノル-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,26-トリオール
(20S)-22-オキサ-24a-ホモ-26,27-ジメチル-1α,25-ジヒドロキシコレカルシフェロール
(5Z,7E,20S)-26,27-ジメチル-20,22-エポキシ-9,10:20,22-ジセココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
(1R,3S,5Z)-5-{2-[(1S,3aS,4E,7aS)-1-[(1S)-1-[(4-エチル-4-ヒドロキシヘキシル)オキシ]エチル]-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
(1R,3S,5Z)-5-{2-[(1S,3aS,4E,7aS)-1-[(1S)-1-[(4-ethyl-4-hydroxyhexyl)oxy]ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
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Other name (5):
KH-1060
(20S)-22-Oxa-24a-homo-26,27-dimethyl-1α,25-dihydroxycholecalciferol
レキシカルシトール
Lexicalcitol
(5Z,7E,20S)-26,27-Dimethyl-20,22-epoxy-9,10:20,22-disecocholesta-5,7,10(19)-triene-1α,3β,25-triol
CAS registry number:
154461-85-5
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