| SpectraBase Compound ID | Cm1VRzMMFsl |
|---|---|
| InChI | InChI=1S/C56H56O12/c1-38-49(66-46(59)29-25-40-18-10-5-11-19-40)51(67-47(60)30-26-41-20-12-6-13-21-41)54(3)50(43(57)32-33-56(54,62)37-64-45(58)28-24-39-16-8-4-9-17-39)53(38,2)44-36-55(34-35-63-52(55)65-44)68-48(61)31-27-42-22-14-7-15-23-42/h4-31,38,44,49-52,62H,32-37H2,1-3H3/b28-24+,29-25+,30-26+,31-27+/t38-,44+,49-,50-,51+,52+,53-,54+,55+,56+/m1/s1 |
| InChIKey | KGEAHZCEBKYYGD-HZTTVDSDSA-N |
| Mol Weight | 921.1 g/mol |
| Molecular Formula | C56H56O12 |
| Exact Mass | 920.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dajd4keYVkN |
|---|---|
| Name | (4R,11S,13R)-6-ALPHA,7-BETA,13,18-TETRA-TRANS-CINNAMOYLOXY-4-HYDROXY-11,16:15,16-DIEPOXY-1-NEOCLERODANONE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H56O12 |
| InChI | InChI=1S/C56H56O12/c1-38-49(66-46(59)29-25-40-18-10-5-11-19-40)51(67-47(60)30-26-41-20-12-6-13-21-41)54(3)50(43(57)32-33-56(54,62)37-64-45(58)28-24-39-16-8-4-9-17-39)53(38,2)44-36-55(34-35-63-52(55)65-44)68-48(61)31-27-42-22-14-7-15-23-42/h4-31,38,44,49-52,62H,32-37H2,1-3H3/b28-24+,29-25+,30-26+,31-27+/t38-,44+,49-,50-,51+,52+,53-,54+,55+,56+/m1/s1 |
| InChIKey | KGEAHZCEBKYYGD-HZTTVDSDSA-N |
| Literature Reference Author | H.KIZU,N.SUGITA,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,988(1998) |
| Literature Reference DOI | 10.1248/cpb.46.988 |
| Molecular Weight | 921.053 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6486 |