Chem
J-GLOBAL ID:200907034946525709   Nikkaji number:J16.363E

Previtamin D3

プレビタミンD3
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: C27H44O
Molecular formula furigana: C27-H44-O
Molecular weight: 384.648
InChI: InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1
InChI key: YUGCAAVRZWBXEQ-WHTXLNIXSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(=CCC[C@]12C)/C=C\C1=C(C)CC[C@H](O)C1
Systematic name  (4):
  • (3S,6Z)-9,10-セココレスタ-5(10),6,8-トリエン-3-オール
  • (6Z)-9,10-セココレスタ-5(10),6,8-トリエン-3β-オール
  • (1S)-3-[(1Z)-2-[(1R,3aR,7aR)-7a-メチル-1-[(2R)-6-メチルヘプタン-2-イル]-2,3,3a,6,7,7a-ヘキサヒドロ-1H-インデン-4-イル]エテニル]-4-メチルシクロヘキサ-3-エン-1-オール
  • (1S)-3-[(1Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
Other name (9):
  • プレビタミンD3
  • プレカルシフェロール3
  • Previtamin D3
  • Precalciferol3
  • (6Z)-9,10-Secocholesta-5(10),6,8-trien-3β-ol
Show all
CAS registry number: 1173-13-3
Regulation number (2):
  • 7-(1)-135
  • EINECS2146342
KEGG COMPOUND: C07711
Thsaurus map:

Return to Previous Page