| SpectraBase Compound ID | 9cWW0ClhLuE |
|---|---|
| InChI | InChI=1S/C63H96O14/c1-34-19-25-61(49(69)74-12)29-27-54(5)36(44(61)59(34,10)72)15-17-40-52(3)31-38(65)46(67)58(9,42(52)21-23-56(40,54)7)48(68)77-47-39(66)32-53(4)41-18-16-37-45-60(11,73)35(2)20-26-62(45,50(70)75-13)30-28-55(37,6)57(41,8)24-22-43(53)63(47,33-64)51(71)76-14/h15-16,34-35,38-47,64-67,72-73H,17-33H2,1-14H3/t34-,35+,38-,39+,40?,41?,42?,43?,44?,45?,46+,47+,52-,53+,54-,55+,56-,57+,58+,59-,60+,61+,62-,63+/m1/s1 |
| InChIKey | VWWIRMLABXACLP-FUXPHEHWSA-N |
| Mol Weight | 1077.4 g/mol |
| Molecular Formula | C63H96O14 |
| Exact Mass | 1076.680008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bylYoA0bWp |
|---|---|
| Name | COREANOGENOIC-ACID-METHYLESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H96O14 |
| InChI | InChI=1S/C63H96O14/c1-34-19-25-61(49(69)74-12)29-27-54(5)36(44(61)59(34,10)72)15-17-40-52(3)31-38(65)46(67)58(9,42(52)21-23-56(40,54)7)48(68)77-47-39(66)32-53(4)41-18-16-37-45-60(11,73)35(2)20-26-62(45,50(70)75-13)30-28-55(37,6)57(41,8)24-22-43(53)63(47,33-64)51(71)76-14/h15-16,34-35,38-47,64-67,72-73H,17-33H2,1-14H3/t34-,35+,38-,39+,40?,41?,42?,43?,44?,45?,46+,47+,52-,53+,54-,55+,56-,57+,58+,59-,60+,61+,62-,63+/m1/s1 |
| InChIKey | VWWIRMLABXACLP-FUXPHEHWSA-N |
| Literature Reference Author | K.OHTANI,C.MIYAJIMA,T.TAKAHASI,R.KASAI,O.TANAKA,D.R.HAHN,N.N ARUHASHI |
| Literature Reference Citation | PHYTOCHEM.,29,3275(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80199-Q |
| Molecular Weight | 1077.447 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6805 |