| SpectraBase Compound ID | D1LDlIlsVQs |
|---|---|
| InChI | InChI=1S/C21H26N2O8/c1-10(22-21(29)30-9-12-6-4-3-5-7-12)19(27)23-17-11(2)31-20(28)15-13(24)8-14(25)18(26)16(15)17/h3-7,10-11,14,16-18,24-26H,8-9H2,1-2H3,(H,22,29)(H,23,27)/t10-,11+,14+,16+,17-,18-/m1/s1 |
| InChIKey | OZJZHRMIHNVQNZ-ZRHRAHEGSA-N |
| Mol Weight | 434.45 g/mol |
| Molecular Formula | C21H26N2O8 |
| Exact Mass | 434.168916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8JTcNsLEvfh |
|---|---|
| Name | N-Benzyloxycarbonyl-(-)-actinobolin |
| Alternate Name(s) | N-[(2R)-1-[[(3S,4S,4aS,5S,6S)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-2-benzopyran-4-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester benzyl N-[(2R)-1-[[(3S,4S,4aS,5S,6S)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl]amino]-1-oxopropan-2-yl]carbamate benzyl N-[(1R)-2-[[(3S,4S,4aS,5S,6S)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl]amino]-1-methyl-2-oxo-ethyl]carbamate (phenylmethyl) N-[(2R)-1-[[(3S,4S,4aS,5S,6S)-3-methyl-5,6,8-tris(oxidanyl)-1-oxidanylidene-3,4,4a,5,6,7-hexahydroisochromen-4-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O8 |
| InChI | InChI=1S/C21H26N2O8/c1-10(22-21(29)30-9-12-6-4-3-5-7-12)19(27)23-17-11(2)31-20(28)15-13(24)8-14(25)18(26)16(15)17/h3-7,10-11,14,16-18,24-26H,8-9H2,1-2H3,(H,22,29)(H,23,27)/t10-,11+,14+,16+,17-,18-/m1/s1 |
| InChIKey | OZJZHRMIHNVQNZ-ZRHRAHEGSA-N |
| Molecular Weight | 434.445 g/mol |
| SMILES | N([C@]1([C@@]2(C(=C(C[C@@]([C@]2(O)[H])(O)[H])O)C(O[C@]1(C)[H])=O)[H])[H])C([C@](NC(=O)OCc1ccccc1)(C)[H])=O |
| SPLASH | splash10-00di-0090100000-3ac143e4c30e446176fd |
| Source of Spectrum | F-62-6938-33 |
| Wiley ID | 1639843 |