| SpectraBase Spectrum ID |
Kb3Qgtojtza |
| Name |
Cassumunarin A |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H34O8 |
| InChI |
InChI=1S/C33H34O8/c1-38-29-15-11-22(18-32(29)41-4)25-7-5-6-24(21-10-14-27(36)31(17-21)40-3)33(25)28(37)19-23(34)12-8-20-9-13-26(35)30(16-20)39-2/h5,7-19,24-25,33-36H,6H2,1-4H3/b12-8+,23-19-/t24-,25-,33-/m1/s1 |
| InChIKey |
CTLWDLSCUILOFP-NNWYQOELSA-N |
| Molecular Weight |
558.627 g/mol |
| SMILES |
Oc1c(cc([C@]2(CC=C[C@@]([C@@]2(C(\C=C/(\C=C\c2cc(OC)c(cc2)O)O)=O)[H])(c2cc(OC)c(cc2)OC)[H])[H])cc1)OC |
| SPLASH |
splash10-066s-0449070000-2bedbf5af552f8a8393d |
| Source of Spectrum |
AT-35-984-1 |
| Synonyms |
Cassumunarin B
(2Z,4E)-1-[(1R,2S,6S)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-1-cyclohex-3-enyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-penta-2,4-dienone
(2Z,4E)-1-[(1R,2S,6S)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
(2Z,4E)-1-[(1R,2S,6S)-2-(3,4-dimethoxyphenyl)-6-(3-methoxy-4-oxidanyl-phenyl)cyclohex-3-en-1-yl]-5-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-penta-2,4-dien-1-one |
| Wiley ID |
852722 |
