| SpectraBase Spectrum ID |
D171HtRdx5E |
| Name |
2H-Pyran-2-acetic acid, 6-[1-ethyl-4-[1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-.alpha.,5-dimethyl-, methyl ester, [1S-[1.alpha.,3a.beta.,4.beta.,5.beta.[1E[2S*(S*),5R*,6S*],3E],7a.al pha.]]- |
| CAS Registry Number |
76567-01-6 |
| 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+/m1/s1 |
| InChIKey |
QSHXKVATBBPKKV-BXIYFLJASA-N |
| Molecular Weight |
507.715 g/mol |
| SMILES |
[nH]1cccc1C([C@]1([C@]2([C@](C=C[C@]1(\C=C\C=C\([C@]1(OC(C(C(=O)OC)C)CC[C@]1(C)[H])[H])CC)[H])([C@@](CC)(CC2)[H])[H])[H])[H])=O |
| SPLASH |
splash10-0006-9320000000-0eea758a1251df8dbd50 |
| Source of Spectrum |
J-50-1456-2 |
| Synonyms |
Methyl 2-((5R,6S)-6-{(1E,3E)-4-[(1S,3aR,4S,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 |
1400063 |
![2H-Pyran-2-acetic acid, 6-[1-ethyl-4-[1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-.alpha.,5-dimethyl-, methyl ester, [1S-[1.alpha.,3a.beta.,4.beta.,5.beta.[1E[2S*(S*),5R*,6S*],3E],7a.al pha.]]-](/api/spectrum/D171HtRdx5E/structure.png?h=300&w=458 "2H-Pyran-2-acetic acid, 6-[1-ethyl-4-[1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl]-1,3-butadienyl]tetrahydro-.alpha.,5-dimethyl-, methyl ester, [1S-[1.alpha.,3a.beta.,4.beta.,5.beta.[1E[2S*(S*),5R*,6S*],3E],7a.al pha.]]-")
