| SpectraBase Compound ID | Fg2addWOBue |
|---|---|
| InChI | InChI=1S/C46H78O6/c1-10-11-12-13-14-15-16-17-18-19-20-28-44(49)51-34-23-27-42-41(39(6)35-47)31-33-46(9,50)45(42,8)32-22-26-38(5)43(52-40(7)48)30-29-37(4)25-21-24-36(2)3/h24,26,29,35,42-43,50H,10-23,25,27-28,30-34H2,1-9H3/b37-29+,38-26+,41-39-/t42-,43?,45+,46+/m1/s1 |
| InChIKey | VZDZTJNMGHFQEZ-BIMBCDHZSA-N |
| Mol Weight | 727.1 g/mol |
| Molecular Formula | C46H78O6 |
| Exact Mass | 726.57984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XQvo4fx2KJ |
|---|---|
| Name | IRISTECTORENE-B-MONOACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78O6 |
| InChI | InChI=1S/C46H78O6/c1-10-11-12-13-14-15-16-17-18-19-20-28-44(49)51-34-23-27-42-41(39(6)35-47)31-33-46(9,50)45(42,8)32-22-26-38(5)43(52-40(7)48)30-29-37(4)25-21-24-36(2)3/h24,26,29,35,42-43,50H,10-23,25,27-28,30-34H2,1-9H3/b37-29+,38-26+,41-39-/t42-,43?,45+,46+/m1/s1 |
| InChIKey | VZDZTJNMGHFQEZ-BIMBCDHZSA-N |
| Literature Reference Author | K.SEKI,T.TOMIHARI,K.HAGA,R.KANEKO |
| Literature Reference Citation | PHYTOCHEM.,36,433(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97090-0 |
| Molecular Weight | 727.122 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25227 |