| SpectraBase Compound ID | K2Z61aFPBx8 |
|---|---|
| InChI | InChI=1S/C40H46N4O7/c1-27(45)41-19-7-8-20-42-22-10-24-44(39(48)30-11-5-4-6-12-30)36(47)26-34(43(28(2)46)23-9-21-41)31-15-18-35-33(25-31)37(40(42)49)38(51-35)29-13-16-32(50-3)17-14-29/h4-6,11-18,25,34,37-38H,7-10,19-24,26H2,1-3H3/t34-,37-,38+/m0/s1 |
| InChIKey | QWDUBRBGKMJJHB-HDOVXUBWSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C40H46N4O7 |
| Exact Mass | 694.33665 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | wB9rS9iYIC |
|---|---|
| Name | N(6),N(10)-Diacetyl-N(23)-benzoyl-O(34)-methyl-aphelandrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H46N4O7 |
| InChI | InChI=1S/C40H46N4O7/c1-27(45)41-19-7-8-20-42-22-10-24-44(39(48)30-11-5-4-6-12-30)36(47)26-34(43(28(2)46)23-9-21-41)31-15-18-35-33(25-31)37(40(42)49)38(51-35)29-13-16-32(50-3)17-14-29/h4-6,11-18,25,34,37-38H,7-10,19-24,26H2,1-3H3/t34-,37-,38+/m0/s1 |
| InChIKey | QWDUBRBGKMJJHB-HDOVXUBWSA-N |
| Literature Reference DOI | 10.1002/hlca.19780610735 |
| Molecular Weight | 694.829 g/mol |
| SMILES | [C@]12([C@@](c3ccc(OC)cc3)(Oc3c1cc([C@]1(N(CCCN(CCCCN(C2=O)CCCN(C(C1)=O)C(c1ccccc1)=O)C(C)=O)C(C)=O)[H])cc3)[H])[H] |
| SPLASH | splash10-0a4i-3911000000-bc829b24d1dfa986f187 |
| Source of Spectrum | H-61-2669-32 |
| Wiley ID | 1797400 |