tetrocarcin E(1)
Modify Date: 2025-10-12 19:47:26
tetrocarcin E(1) structure
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Common Name | tetrocarcin E(1) | ||
|---|---|---|---|---|
| CAS Number | 82925-71-1 | Molecular Weight | 955.052 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 1007.8±65.0 °C at 760 mmHg | |
| Molecular Formula | C49H66N2O17 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 563.3±34.3 °C | |
| Name | (5S,6R,7E,9S,11Z,13S,16S,18S,20S,21R,22S)-3-Formyl-5,25-dihydroxy-8,12,18,20,22-pentamethyl-23,27-dioxo-9-({2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-β-D-xylo-hexopyranosyl}oxy)-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,24-pentaen-17-yl 4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranoside |
|---|---|
| Synonym | More Synonyms |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 1007.8±65.0 °C at 760 mmHg |
| Molecular Formula | C49H66N2O17 |
| Molecular Weight | 955.052 |
| Flash Point | 563.3±34.3 °C |
| Exact Mass | 954.436157 |
| LogP | 4.71 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | UPGCLGGUWMZOEW-ABRHKJBTSA-N |
| SMILES | COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(O)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-] |
| (5S,6R,7E,9S,11Z,13S,16S,18S,20S,21R,22S)-3-Formyl-5,25-dihydroxy-8,12,18,20,22-pentamethyl-23,27-dioxo-9-({2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-β-D-xylo-hexopyranosyl}oxy )-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,24-pentaen-17-yl 4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranoside |
| 16a,19-Methano-16aH-benzo[b]naphth[2,1-j]oxacyclotetradecin-15-carboxaldehyde, 4-[(4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-tetradecahydro-13,18-d ihydroxy-1,3,7,11,20a-pentamethyl-20,21-dioxo-10-[[2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-β-D-xylo-hexopyranosyl]oxy]-, (1S,3S,4aS,6aS,7Z,10S,11E,12aR,13S,20aS,20bR)- |