| SpectraBase Compound ID | KyseLZuRlxL |
|---|---|
| InChI | InChI=1S/C79H131N3O20/c1-43(2)37-57(80-64(88)35-36-78(16,17)73(94)54(14)67(89)44(3)4)74(95)79(18,19)42-50(10)69(91)47(7)32-34-59(85)53(13)75(96)82-65(55(15)83)72-52(12)58(84)33-31-46(6)68(90)48(8)40-49(9)70(92)51(11)60(86)41-56-38-45(5)39-62(101-56)61(100-20)29-27-25-23-21-22-24-26-28-30-63(87)81-66(77(99)102-72)71(93)76(97)98/h23-31,35-36,40,42-45,47-48,51-62,65-72,74,83-86,89-93,95H,21-22,32-34,37-39,41H2,1-20H3,(H,80,88)(H,81,87)(H,82,96)(H,97,98)/b25-23+,26-24+,29-27+,30-28+,36-35+,46-31+,49-40+,50-42+ |
| InChIKey | BNLWXUCNIHFRCE-NOIUFOINSA-N |
| Mol Weight | 1442.9 g/mol |
| Molecular Formula | C79H131N3O20 |
| Exact Mass | 1441.932594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3cVDrCU2iq |
|---|---|
| Name | POECILLASTRIN_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H131N3O20 |
| InChI | InChI=1S/C79H131N3O20/c1-43(2)37-57(80-64(88)35-36-78(16,17)73(94)54(14)67(89)44(3)4)74(95)79(18,19)42-50(10)69(91)47(7)32-34-59(85)53(13)75(96)82-65(55(15)83)72-52(12)58(84)33-31-46(6)68(90)48(8)40-49(9)70(92)51(11)60(86)41-56-38-45(5)39-62(101-56)61(100-20)29-27-25-23-21-22-24-26-28-30-63(87)81-66(77(99)102-72)71(93)76(97)98/h23-31,35-36,40,42-45,47-48,51-62,65-72,74,83-86,89-93,95H,21-22,32-34,37-39,41H2,1-20H3,(H,80,88)(H,81,87)(H,82,96)(H,97,98)/b25-23+,26-24+,29-27+,30-28+,36-35+,46-31+,49-40+,50-42+ |
| InChIKey | BNLWXUCNIHFRCE-NOIUFOINSA-N |
| Literature Reference Author | K.TAKADA,B.W.CHOI,M.A.RASHID,W.R.GAMBLE,J.H.CARDELLINA,Q.N.V AN,J.R.LLOYD,J.B.MCM |
| Literature Reference Citation | J.NAT.PROD.,70,428(2007) |
| Literature Reference DOI | 10.1021/np0604984 |
| Molecular Weight | 1442.917 g/mol |
| Sample ID | 30052 |
| Solvent | DMF-D7 |