Chem
J-GLOBAL ID:200907035753144518
Nikkaji number:J401.525H
125I-BOP
125 I-BOP
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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:
C23 H29 [125 I]O5
Molecular formula furigana:
C23-H29-I-O5
Molecular weight:
510.385
InChI:
InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21-,22+/m0/s1/i24-2
InChI key:
UYFMSCHBODMWON-VKRFCJDJSA-N
SMILES:
O[C@H](COc1ccc([125I])cc1)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@H]1C/C=C\CCCC(=O)O
Systematic name (3):
(Z)-7-[(1S,4R)-3α-[(1E,3S)-3-ヒドロキシ-4-[4-(125 I)ヨードフェノキシ]-1-ブテニル]-7-オキサビシクロ[2.2.1]ヘプタン-2β-イル]-5-ヘプテン酸
(5Z)-7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-ヒドロキシ-4-[4-(125 I)ヨードフェノキシ]ブタ-1-エン-1-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]ヘプタ-5-エン酸
(5Z)-7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-hydroxy-4-[4-(125 I)iodophenoxy]but-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Other name (2):
125 I-BOP
(Z)-7-[(1S,4R)-3α-[(1E,3S)-3-Hydroxy-4-[4-(125 I)iodophenoxy]-1-butenyl]-7-oxabicyclo[2.2.1]heptan-2β-yl]-5-heptenoic acid
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