| CAS Number | 53760-20-6 |
| Catalog Number | AG00DCJD(AGN-PC-0SFVXV) |
| Chemical Name | Cytochalasin J |
| IUPAC Name | (1R,2R,3E,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one |
| InChI | InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t17-,18+,21-,22-,23+,24-,25+,27+,28+/m0/s1 |
| InChI Key | UKQNIEMKORIOQM-JXYXERRISA-N |
| MDL Number | MFCD00077708 |
| Molecular Formula | C28H37NO4 |
| Molecular Weight | 451.5977 |
| SMILES | O[C@H]1[C@H]\2[C@@]3(C(N[C@H]([C@@H]3[C@@H](C1=C)C)CC1=CC=CC=C1)=O)[C@@H](/C=C/[C@](C[C@H](C/C=C2)C)(C)O)O |
| Synonyms | deacetylcytochalasin H,
deacetylcytochalasin H, (7S,13E,16S,18R,19E,21R)-isomer,
cytochalasin J,
Cytochalasin j,
53760-20-6,
ZINC103559230,
Cytochalasin J from Phomopsis sp., >=95%,
Deacetylcytochalasin H,
C28-H37-N-O4,
|