| SpectraBase Compound ID | 7hxz8MsUDB |
|---|---|
| InChI | InChI=1S/C30H36O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,10,17,20-24,32,35-36H,9,11H2,1-7H3/b12-8+/t17-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1 |
| InChIKey | MJOFLSVJDZIFKV-UUTDASJCSA-N |
| Mol Weight | 604.6 g/mol |
| Molecular Formula | C30H36O13 |
| Exact Mass | 604.215591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FCXXTGHHcz |
|---|---|
| Name | DEHYDROBRUCEANTINOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36O13 |
| InChI | InChI=1S/C30H36O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,10,17,20-24,32,35-36H,9,11H2,1-7H3/b12-8+/t17-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1 |
| InChIKey | MJOFLSVJDZIFKV-UUTDASJCSA-N |
| Literature Reference Author | K.IMAMURA,N.FUKAYIMA,M.NAKAMURA,M.OKANO,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,58,1915(1995) |
| Literature Reference DOI | 10.1021/np50126a019 |
| Molecular Weight | 604.608 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | WANG2480 |