| SpectraBase Compound ID | 9w1zXcyfW1h |
|---|---|
| InChI | InChI=1S/C29H45NO4/c1-20(10-7-14-24(32)15-9-17-31)11-8-16-25-28(33)22(3)21(2)27-26(30-19-29(25,27)34)18-23-12-5-4-6-13-23/h4-6,8,12-13,16,20-21,24-28,30-34H,3,7,9-11,14-15,17-19H2,1-2H3/b16-8+ |
| InChIKey | IMSGHUBCVJVMDU-LZYBPNLTSA-N |
| Mol Weight | 471.7 g/mol |
| Molecular Formula | C29H45NO4 |
| Exact Mass | 471.334859 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7EMe2nmLqi0 |
|---|---|
| Name | 3a,5(4H)-Isoindolinediol, 1-benzyl-4-(8,11-dihydroxy-4-methyl-1-undecenyl)tetrahydro-7-methyl-6-methylene- |
| CAS Registry Number | 14110-73-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45NO4 |
| InChI | InChI=1S/C29H45NO4/c1-20(10-7-14-24(32)15-9-17-31)11-8-16-25-28(33)22(3)21(2)27-26(30-19-29(25,27)34)18-23-12-5-4-6-13-23/h4-6,8,12-13,16,20-21,24-28,30-34H,3,7,9-11,14-15,17-19H2,1-2H3/b16-8+ |
| InChIKey | IMSGHUBCVJVMDU-LZYBPNLTSA-N |
| Molecular Weight | 471.682 g/mol |
| SMILES | OC(CCCC(C\C=C\C1C2(CNC(C2C(C(C1O)=C)C)Cc1ccccc1)O)C)CCCO |
| SPLASH | splash10-001i-9504000000-bc9b5ee27ba8ff4731be |
| Source of Spectrum | H-53-706-7 |
| Synonyms | 1-Benzyl-4-[(1E)-8,11-dihydroxy-4-methyl-1-undecenyl]-7-methyl-6-methyleneoctahydro-3ah-isoindole-3a,5-diol 1-Benzyl-4-[(E)-8,11-dihydroxy-4-methyl-undec-1-enyl]-7-methyl-6-methylene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol 1-Benzyl-4-[(E)-8,11-dihydroxy-4-methylundec-1-enyl]-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol 4-[(E)-8,11-dihydroxy-4-methylundec-1-enyl]-7-methyl-6-methylene-1-(phenylmethyl)-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol 7-Methyl-4-[(E)-4-methyl-8,11-bis(oxidanyl)undec-1-enyl]-6-methylidene-1-(phenylmethyl)-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol |
| Wiley ID | 1393144 |