| SpectraBase Compound ID | 5xs7W9pNRm1 |
|---|---|
| InChI | InChI=1S/C54H82O14/c1-33(31-55)13-9-10-14-34(2)32-61-50(59)51(8,60)30-41-17-18-45(57)54(65-41)29-35(3)27-44(66-54)36(4)15-16-40-20-24-53(64-40)25-21-43-49(68-53)46(58)39(7)48(63-43)42(56)28-38(6)47-37(5)19-23-52(67-47)22-11-12-26-62-52/h9-10,15-16,29,36-38,40-49,55-58,60H,1-2,7,11-14,17-28,30-32H2,3-6,8H3/b10-9-,16-15+/t36-,37+,38-,40-,41-,42-,43?,44+,45+,46-,47?,48+,49?,51?,52-,53-,54-/m1/s1 |
| InChIKey | BHFNXFGVIHTWDA-AXRNNXSXSA-N |
| Mol Weight | 955.2 g/mol |
| Molecular Formula | C54H82O14 |
| Exact Mass | 954.570457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gyfc4jCbTe |
|---|---|
| Name | BHFNXFGVIHTWDA-AXRNNXSXSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H82O14 |
| InChI | InChI=1S/C54H82O14/c1-33(31-55)13-9-10-14-34(2)32-61-50(59)51(8,60)30-41-17-18-45(57)54(65-41)29-35(3)27-44(66-54)36(4)15-16-40-20-24-53(64-40)25-21-43-49(68-53)46(58)39(7)48(63-43)42(56)28-38(6)47-37(5)19-23-52(67-47)22-11-12-26-62-52/h9-10,15-16,29,36-38,40-49,55-58,60H,1-2,7,11-14,17-28,30-32H2,3-6,8H3/b10-9-,16-15+/t36-,37+,38-,40-,41-,42-,43?,44+,45+,46-,47?,48+,49?,51?,52-,53-,54-/m1/s1 |
| InChIKey | BHFNXFGVIHTWDA-AXRNNXSXSA-N |
| Literature Reference Author | B.SUAREZ-GOMEZ,M.L.SOUTO,P.G.CRUZ,J.J.FERNANDEZ,M.NORTE |
| Literature Reference Citation | J.NAT.PROD.,68,596(2005) |
| Literature Reference DOI | 10.1021/np040183t |
| Molecular Weight | 955.237 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9646 |