Chem
J-GLOBAL ID：200907041053660671   Nikkaji number：J1.126.677K

[2β-(3-3H)]ED-71

1α,25-ジヒドロキシ-2β-[3-ヒドロキシ(3-3H)プロポキシ]コレカルシフェロール
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： C30H49[3H]O5
Molecular formula furigana： C30-H50-O5
Molecular weight： 492.733
InChI： InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1/i17T/t17?,20-,24-,25+,26-,27-,28-,30-
InChI key： FZEXGDDBXLBRTD-XAIUAMBDSA-N
SMILES： C([3H])(O)CCO[C@@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)(C)O)/C(=C)[C@H]1O
Systematic name  (3)：
  • 1α,25-ジヒドロキシ-2β-[3-ヒドロキシ(3-3H)プロポキシ]コレカルシフェロール
  • (1R,2R,3R,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-[3-ヒドロキシ(3-3H1)プロポキシ]-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,2R,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-[3-hydroxy(3-3H1)propoxy]-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • 1α,25-Dihydroxy-2β-[3-hydroxy(3-3H)propoxy]cholecalciferol
  • [2β-(3-3H)]ED-71
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM