| SpectraBase Compound ID | BT1Z2sBJy2H |
|---|---|
| InChI | InChI=1S/C30H49N5O7/c1-10-12-21-28(39)35-16-14-19(6)25(35)27(38)32-23(18(5)11-2)29(40)34(9)24(17(3)4)30(41)33(8)20(7)26(37)31-15-13-22(36)42-21/h10,17-21,23-25H,1,11-16H2,2-9H3,(H,31,37)(H,32,38) |
| InChIKey | GZRXQMYGOOOMFR-UHFFFAOYSA-N |
| Mol Weight | 591.8 g/mol |
| Molecular Formula | C30H49N5O7 |
| Exact Mass | 591.363199 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DBQW2tDKDFQ |
|---|---|
| Name | Roseotoxin B |
| CAS Registry Number | 55466-29-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H49N5O7 |
| InChI | InChI=1S/C30H49N5O7/c1-10-12-21-28(39)35-16-14-19(6)25(35)27(38)32-23(18(5)11-2)29(40)34(9)24(17(3)4)30(41)33(8)20(7)26(37)31-15-13-22(36)42-21/h10,17-21,23-25H,1,11-16H2,2-9H3,(H,31,37)(H,32,38) |
| InChIKey | GZRXQMYGOOOMFR-UHFFFAOYSA-N |
| Molecular Weight | 591.750 g/mol |
| SMILES | N1CCC(OC(C(N2C(C(=O)NC(C(CC)C)C(=O)N(C(C(=O)N(C(C1=O)C)C)C(C)C)C)C(CC2)C)=O)CC=C)=O |
| SPLASH | splash10-0019-9510130000-081829bbfd55336738ee |
| Source of Spectrum | W5-37760-27776-27776 |
| Synonyms | 16-Allyl-3-sec-butyl-6-isopropyl-5,8,9,21-tetramethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone 16-butan-2-yl-10,11,14,20-tetramethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone 3-Allyl-13-isopropyl-10,11,14,20-tetramethyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone 3-Allyl-13-isopropyl-10,11,14,20-tetramethyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-triquinone |
| Wiley ID | 1409413 |