| SpectraBase Spectrum ID |
1kacKw7mFWv |
| Name |
Indanomycin methyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H45NO4 |
| InChI |
InChI=1S/C32H45NO4/c1-6-22-14-17-26-25(22)16-15-24(29(26)30(34)27-12-9-19-33-27)11-8-10-23(7-2)31-20(3)13-18-28(37-31)21(4)32(35)36-5/h8-12,15-16,19-22,24-26,28-29,31,33H,6-7,13-14,17-18H2,1-5H3/b11-8+,23-10+/t20-,21+,22-,24+,25+,26?,28+,29?,31+/m0/s1 |
| InChIKey |
QSHXKVATBBPKKV-XQXAABEMSA-N |
| Molecular Weight |
507.715 g/mol |
| SMILES |
[nH]1cccc1C(C1C2[C@](C=C[C@]1(\C=C\C=C\([C@@]1(O[C@@]([C@](C(=O)OC)(C)[H])(CC[C@@]1(C)[H])[H])[H])CC)[H])([C@@](CC)(CC2)[H])[H])=O |
| SPLASH |
splash10-0006-9000110000-d1b5391d60dfd3cec80c |
| Source of Spectrum |
J-59-347-0 |
| Synonyms |
Methyl (2R)-2-((2R,5S,6R)-6-{(1E,3E)-4-[(1S,5S,7aS)-1-ethyl-4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-1-ethyl-1,3-butadienyl}-5-methyltetrahydro-2H-pyran-2-yl)propanoate |
| Wiley ID |
1400065 |
