| SpectraBase Spectrum ID |
A6szU4NDWgQ |
| Name |
4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-((3,9,11-trimethyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-, (6S-(6alpha(2S*,3S*),8beta(R*),9beta,11alpha))- |
| CAS Registry Number |
52665-69-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H37N3O6 |
| InChI |
InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16+,17+,18?,22-,27+,29+/m1/s1 |
| InChIKey |
HIYAVKIYRIFSCZ-ODXMUEDMSA-N |
| Molecular Weight |
523.630 g/mol |
| SMILES |
[nH]1cccc1C(C([C@]1(O[C@]2(O[C@](Cc3nc4c(c(ccc4o3)NC)C(=O)O)([C@@](CC2)(C)[H])[H])[C@](C[C@@]1(C)[H])(C)[H])[H])C)=O |
| SPLASH |
splash10-05fr-0073390000-5b2676e5bc1bb9fa71f5 |
| Source of Spectrum |
C-113-5353-1 |
| Synonyms |
Calimycin
5-(methylamino)-2-[[(2S,3S,5S,6S,8R,9R)-3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
5-(methylamino)-2-[[(2S,3S,5S,6S,8R,9R)-3,5,9-trimethyl-2-[1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
5-(methylamino)-2-[[(2S,3S,5S,6S,8R,9R)-3,5,9-trimethyl-2-[1-oxidanylidene-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
A-23187
ANTIBIOTIC A 23187
EINECS 258-084-1 |
| Wiley ID |
1402403 |
