| SpectraBase Compound ID | K3o9sMWNGzu |
|---|---|
| InChI | InChI=1S/C42H47NO12/c1-17(2)21-11-27-23(39(46)50-9)13-29(52-27)33(19(5)6)31-15-25(41(48)54-31)35(37(21)44)43-36-26-16-32(55-42(26)49)34(20(7)8)30-14-24(40(47)51-10)28(53-30)12-22(18(3)4)38(36)45/h13-16,21-22,31-38,43-45H,1,3,5,7,11-12H2,2,4,6,8-10H3 |
| InChIKey | JNHYDXTWWOIVKJ-UHFFFAOYSA-N |
| Mol Weight | 757.8 g/mol |
| Molecular Formula | C42H47NO12 |
| Exact Mass | 757.309826 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IY3eCRE5jQi |
|---|---|
| Name | Bis(gorgiacerol)amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H47NO12 |
| InChI | InChI=1S/C42H47NO12/c1-17(2)21-11-27-23(39(46)50-9)13-29(52-27)33(19(5)6)31-15-25(41(48)54-31)35(37(21)44)43-36-26-16-32(55-42(26)49)34(20(7)8)30-14-24(40(47)51-10)28(53-30)12-22(18(3)4)38(36)45/h13-16,21-22,31-38,43-45H,1,3,5,7,11-12H2,2,4,6,8-10H3 |
| InChIKey | JNHYDXTWWOIVKJ-UHFFFAOYSA-N |
| Molecular Weight | 757.833 g/mol |
| SMILES | OC1C(Cc2c(cc(C(C3C=C(C1NC1C4=CC(C(c5cc(c(CC(C1O)C(=C)C)o5)C(OC)=O)C(=C)C)OC4=O)C(O3)=O)C(=C)C)o2)C(OC)=O)C(=C)C |
| SPLASH | splash10-004i-0092022300-38dcedf662c84413938f |
| Source of Spectrum | F-47-8686-7 |
| Wiley ID | 1416476 |