| SpectraBase Compound ID | F3h6RYToNxc |
|---|---|
| InChI | InChI=1S/C29H43N3O7/c1-7-15(3)23-27(37)31-17(14-38-28-26(36)25(35)24(34)20(13-33)39-28)11-16-12-30-22-18(29(4,5)8-2)9-10-19(21(16)22)32(23)6/h8-10,12,15,17,20,23-26,28,30,33-36H,2,7,11,13-14H2,1,3-6H3,(H,31,37)/t15-,17-,20+,23-,24+,25-,26+,28+/m0/s1 |
| InChIKey | NJXBUEOOZBMGFZ-HSFYLJGDSA-N |
| Mol Weight | 545.7 g/mol |
| Molecular Formula | C29H43N3O7 |
| Exact Mass | 545.310101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fxz2LDzjmUC |
|---|---|
| Name | METHYLPENDOLMYCIN-14-O-ALPHA-GLUCOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H43N3O7 |
| InChI | InChI=1S/C29H43N3O7/c1-7-15(3)23-27(37)31-17(14-38-28-26(36)25(35)24(34)20(13-33)39-28)11-16-12-30-22-18(29(4,5)8-2)9-10-19(21(16)22)32(23)6/h8-10,12,15,17,20,23-26,28,30,33-36H,2,7,11,13-14H2,1,3-6H3,(H,31,37)/t15-,17-,20+,23-,24+,25-,26+,28+/m0/s1 |
| InChIKey | NJXBUEOOZBMGFZ-HSFYLJGDSA-N |
| Literature Reference Author | H.HUANG,Y.YAO,Z.HE,T.YANG,J.MA,X.TIAN,Y.LI,C.HUANG,X.CHEN,W. LI,S.ZHANG,C.ZHANG,J |
| Literature Reference Citation | J.NAT.PROD.,74,2122(2011) |
| Literature Reference DOI | 10.1021/np200399t |
| Molecular Weight | 545.676 g/mol |
| Sample ID | 39360 |
| Solvent | CDCl3 |