Chem
J-GLOBAL ID：200907056400106989   Nikkaji number：J39.466A

Vitamin D5

ビタミンD5
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： C29H48O
Molecular formula furigana： C29-H48-O
Molecular weight： 412.702
InChI： InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1
InChI key： RMDJVOZETBHEAR-LQYWTLTGSA-N
SMILES： CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCC[C@]12C)C(C)C
Systematic name  (3)：
  • (5Z,7E)-9,10-セコスチグマスタ-5,7,10(19)-トリエン-3β-オール
  • (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,5R)-5-エチル-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-オール
  • (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
Other name (3)：
  • ビタミンD5
  • Vitamin D5
  • (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3β-ol
CAS registry number： 71761-06-3
KEGG COMPOUND： C18193
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