| SpectraBase Compound ID | AMpDdcnpj18 |
|---|---|
| InChI | InChI=1S/C29H41NO5/c1-15-12-22-25(30(14-15)27(33)34-5)17(3)29(35-22)11-9-20-21-7-6-18-13-19(31)8-10-28(18,4)24(21)26(32)23(20)16(29)2/h6,15,17,19-22,24-25,31H,7-14H2,1-5H3/t15-,17+,19-,20-,21-,22+,24+,25-,28-,29-/m0/s1 |
| InChIKey | BSYVNBXLPWSHPA-VFVYFEGOSA-N |
| Mol Weight | 483.6 g/mol |
| Molecular Formula | C29H41NO5 |
| Exact Mass | 483.298473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5rVXgEHetz6 |
|---|---|
| Name | Verapatuline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H41NO5 |
| InChI | InChI=1S/C29H41NO5/c1-15-12-22-25(30(14-15)27(33)34-5)17(3)29(35-22)11-9-20-21-7-6-18-13-19(31)8-10-28(18,4)24(21)26(32)23(20)16(29)2/h6,15,17,19-22,24-25,31H,7-14H2,1-5H3/t15-,17+,19-,20-,21-,22+,24+,25-,28-,29-/m0/s1 |
| InChIKey | BSYVNBXLPWSHPA-VFVYFEGOSA-N |
| Molecular Weight | 483.649 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(C(C4=C([C@]5([C@@]([C@@]6(N(C(=O)OC)C[C@](C[C@]6(O5)[H])(C)[H])[H])(C)[H])CC[C@]4([C@@]3(CC=C2C1)[H])[H])C)=O)[H])C)[H] |
| SPLASH | splash10-00lr-0900000000-51328369d9e4701b6f48 |
| Source of Spectrum | G4-61-1080-2 |
| Synonyms | (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-11-keto-3',6',10,11b-tetramethyl-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylic acid methyl ester (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxo-4'-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]carboxylic acid methyl ester Methyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-3-oxidanyl-11-oxidanylidene-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate Methyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxo-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate |
| Wiley ID | 1607410 |