Chem
J-GLOBAL ID：200907023531529812   Nikkaji number：J1.119.128B

(5Z,13E,15S)-9β,11β,15-Trihydroxy-16-(3-chlorophenoxy)-17,18,19,20-tetranorprosta-5,13-dien-1-oic acid

(5Z,13E,15S)-9β,11β,15-トリヒドロキシ-16-(3-クロロフェノキシ)-17,18,19,20-テトラノルプロスタ-5,13-ジエン-1-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： C22H29ClO6
Molecular formula furigana： C22-H29-CL-O6
Molecular weight： 424.920
InChI： InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18+,19+,20+,21-/m0/s1
InChI key： VJGGHXVGBSZVMZ-HBZRMBDBSA-N
SMILES： O[C@H](COc1cccc(Cl)c1)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O
Systematic name  (3)：
  • (5Z,13E,15S)-9β,11β,15-トリヒドロキシ-16-(3-クロロフェノキシ)-17,18,19,20-テトラノルプロスタ-5,13-ジエン-1-酸
  • (5Z)-7-[(1R,2R,3S,5R)-2-[(1E,3S)-4-(3-クロロフェノキシ)-3-ヒドロキシブタ-1-エン-1-イル]-3,5-ジヒドロキシシクロペンチル]ヘプタ-5-エン酸
  • (5Z)-7-[(1R,2R,3S,5R)-2-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Other name (1)：
  • (5Z,13E,15S)-9β,11β,15-Trihydroxy-16-(3-chlorophenoxy)-17,18,19,20-tetranorprosta-5,13-dien-1-oic acid
Thsaurus map：
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