| SpectraBase Spectrum ID |
817Yn7K1KKP |
| Name |
3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-, [1.alpha.(3aR*,4R*,7S*,7aS*),1a.alpha.,3.beta.,3a.alpha.,6.beta.,6a.alpha.,6b.alpha.,7S*]-(.+-.)- |
| CAS Registry Number |
81757-55-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H29NO4 |
| InChI |
InChI=1S/C28H29NO4/c1-29-26(30)21-14(7-8-15(25(21)27(29)31)13-5-3-2-4-6-13)11-18-20-12-19-16-9-10-17(23(18)22(16)20)24(19)28(32)33/h2-10,14-25H,11-12H2,1H3,(H,32,33)/t14-,15?,16-,17+,18-,19+,20+,21?,22+,23-,24+,25-/m0/s1 |
| InChIKey |
KRSGFCBZNOPXOP-MNEABXCDSA-N |
| Molecular Weight |
443.543 g/mol |
| SMILES |
OC([C@@]1([C@]2([C@]3([C@]([C@@]4([C@]3([C@](C=C2)([H])[C@]1(C4)[H])[H])[H])(C[C@]1(C2C(N(C([C@]2(C(C=C1)c1ccccc1)[H])=O)C)=O)[H])[H])[H])[H])[H])=O |
| SPLASH |
splash10-00ou-8901100000-3bf3d7dc0a7b7ca3f693 |
| Source of Spectrum |
B-35-578-0 |
| Synonyms |
(1S,3S,4S,5S,7S,8S,9S)-4-{[(4R,7aS)-2-methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]methyl}tetracyclo[5.4.0.0(2,5).0(3,9)]undec-10-ene-8-carboxylic acid
4-{(2''-methyl-1'',3''-dioxo-7''-phenyl-1'',3'',3a'',4'',7'',7a''-hexahydroisoindol-4''-yl)methyl}tetracyclo[5.4.0.0(2,5).0(3,9)]undec-10-ene-8-carboxylic acid
4-{(2''-Methyl-1'',3''-dioxo-7''-phenyl-1'',3'',3a'',4'',7'',7a''-hexahydroisoindol-4''-yl)methyl}tetracyclo[5.4.0.0(2,5).0(3,9)]undec-10-ene-8-carboxylic acid |
| Wiley ID |
1385778 |
![3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-, [1.alpha.(3aR*,4R*,7S*,7aS*),1a.alpha.,3.beta.,3a.alpha.,6.beta.,6a.alpha.,6b.alpha.,7S*]-(.+-.)-](/api/spectrum/817Yn7K1KKP/structure.png?h=300&w=458 "3,6-Methanocyclobut[cd]indene-7-carboxylic acid, 1-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-, [1.alpha.(3aR*,4R*,7S*,7aS*),1a.alpha.,3.beta.,3a.alpha.,6.beta.,6a.alpha.,6b.alpha.,7S*]-(.+-.)-")
