| SpectraBase Compound ID | 5G7VPbXH5NF |
|---|---|
| InChI | InChI=1S/C37H48O14/c1-18-26(47-19(2)38)15-25-30(43)32-36(9,33(51-23(6)42)31(50-22(5)41)29(18)35(25,7)8)27(48-20(3)39)16-28(49-21(4)40)37(32,45)17-46-34(44)24-13-11-10-12-14-24/h10-14,25-28,30-33,43,45H,15-17H2,1-9H3/t25-,26-,27-,28-,30+,31+,32-,33-,36+,37-/m0/s1 |
| InChIKey | QEHCTLITMBBFGI-YIFMMSFHSA-N |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C37H48O14 |
| Exact Mass | 716.304406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2swq67LXiVH |
|---|---|
| Name | 5-ALPHA,7-BETA,9-ALPHA,10-BETA,13-ALPHA-PENTAACETOXY-20-(BENZOYLOXY),2-ALPHA,4-ALPHA-DIHYDROXYTAX-11-ENE;TAXUMAIROL-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48O14 |
| InChI | InChI=1S/C37H48O14/c1-18-26(47-19(2)38)15-25-30(43)32-36(9,33(51-23(6)42)31(50-22(5)41)29(18)35(25,7)8)27(48-20(3)39)16-28(49-21(4)40)37(32,45)17-46-34(44)24-13-11-10-12-14-24/h10-14,25-28,30-33,43,45H,15-17H2,1-9H3/t25-,26-,27-,28-,30+,31+,32-,33-,36+,37-/m0/s1 |
| InChIKey | QEHCTLITMBBFGI-YIFMMSFHSA-N |
| Literature Reference Author | Y.C.SHEN,H.R.TAI,C.Y.CHEN |
| Literature Reference Citation | J.NAT.PROD.,59,173(1996) |
| Literature Reference DOI | 10.1021/np960046z |
| Molecular Weight | 716.780 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2601 |