Chem
J-GLOBAL ID:200907049013547415   Nikkaji number:J670.950H

(24E)-3α,7α,12α-Trihydroxy-5β-cholest-24-en-26-oic acid

(24E)-3α,7α,12α-トリヒドロキシ-5β-コレスタ-24-エン-26-酸
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: C27H44O5
Molecular formula furigana: C27-H44-O5
Molecular weight: 448.644
InChI: InChI=1S/C27H44O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h7,15,17-24,28-30H,5-6,8-14H2,1-4H3,(H,31,32)/b16-7+/t15-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChI key: VXQOOUCCLSSSSV-JUXNRBFSSA-N
SMILES: C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (4):
  • (24E)-3α,7α,12α-トリヒドロキシ-5β-コレスタ-24-エン-26-酸
  • (24E)-3α,7α,12α-トリヒドロキシ-5β-コレスタ-24-エン-27-酸
  • (2E,6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2-メチルヘプタ-2-エン酸
  • (2E,6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
Other name (2):
  • (24E)-3α,7α,12α-Trihydroxy-5β-cholest-24-en-26-oic acid
  • (24E)-3α,7α,12α-Trihydroxy-5β-cholest-24-en-27-oic acid
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