| SpectraBase Compound ID | 11LmU9zVKoe |
|---|---|
| InChI | InChI=1S/C42H62O12/c1-23(43)49-21-39(10)31-15-18-40(11)32(38(31,9)17-16-33(39)51-25(3)45)14-13-29-30-19-37(7,8)35(53-27(5)47)36(54-28(6)48)42(30,22-50-24(2)44)34(52-26(4)46)20-41(29,40)12/h13,30-36H,14-22H2,1-12H3/t30-,31?,32?,33-,34+,35-,36-,38-,39+,40+,41+,42-/m0/s1 |
| InChIKey | BHVGIRMJUVANSG-RZSYNMLRSA-N |
| Mol Weight | 758.9 g/mol |
| Molecular Formula | C42H62O12 |
| Exact Mass | 758.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9NeMaMI6oK |
|---|---|
| Name | PROTOAESCIGENIN-PENTAACETATE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O12 |
| InChI | InChI=1S/C42H62O12/c1-23(43)49-21-39(10)31-15-18-40(11)32(38(31,9)17-16-33(39)51-25(3)45)14-13-29-30-19-37(7,8)35(53-27(5)47)36(54-28(6)48)42(30,22-50-24(2)44)34(52-26(4)46)20-41(29,40)12/h13,30-36H,14-22H2,1-12H3/t30-,31?,32?,33-,34+,35-,36-,38-,39+,40+,41+,42-/m0/s1 |
| InChIKey | BHVGIRMJUVANSG-RZSYNMLRSA-N |
| Literature Reference Author | Q.SHENG-XIANG,G.YONG,H.T.A.CHEUNG |
| Literature Reference Citation | PHYTOCHEM.,34,1385(1993) |
| Literature Reference DOI | 10.1016/0031-9422(91)80034-X |
| Molecular Weight | 758.947 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20662 |