| SpectraBase Spectrum ID |
DywmlZG4iXA |
| 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.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.334858929 u |
| 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 |
[C@]12([C@](C(C=3NC=CC3)=O)([C@](\C=C\C=C\([C@]3(OC(C(C(=O)OC)C)CC[C@]3(C)[H])[H])CC)(C=C[C@@]2([C@@](CC)(CC1)[H])[H])[H])[H])[H] |
![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/DywmlZG4iXA/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.]]-")
