| SpectraBase Compound ID | IW4evtPnqUk |
|---|---|
| InChI | InChI=1S/C78H129N3O20/c1-42(2)36-57(79-64(87)34-35-78(17,18)74(94)54(15)67(88)43(3)4)71(92)50(11)40-48(9)69(90)46(7)31-33-59(84)53(14)75(95)81-65(55(16)82)73-52(13)58(83)32-30-45(6)68(89)47(8)39-49(10)70(91)51(12)60(85)41-56-37-44(5)38-62(100-56)61(99-19)28-26-24-22-20-21-23-25-27-29-63(86)80-66(77(98)101-73)72(93)76(96)97/h22-30,34-35,39-40,42-44,46-47,50-62,65-73,82-85,88-93H,20-21,31-33,36-38,41H2,1-19H3,(H,79,87)(H,80,86)(H,81,95)(H,96,97)/b24-22+,25-23+,28-26+,29-27+,35-34+,45-30+,48-40+,49-39+ |
| InChIKey | HMIARJJWAVDOLU-HNLIAPJFSA-N |
| Mol Weight | 1428.9 g/mol |
| Molecular Formula | C78H129N3O20 |
| Exact Mass | 1427.916944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24BIwQnG4h3 |
|---|---|
| Name | POECILLASTRIN_C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H129N3O20 |
| InChI | InChI=1S/C78H129N3O20/c1-42(2)36-57(79-64(87)34-35-78(17,18)74(94)54(15)67(88)43(3)4)71(92)50(11)40-48(9)69(90)46(7)31-33-59(84)53(14)75(95)81-65(55(16)82)73-52(13)58(83)32-30-45(6)68(89)47(8)39-49(10)70(91)51(12)60(85)41-56-37-44(5)38-62(100-56)61(99-19)28-26-24-22-20-21-23-25-27-29-63(86)80-66(77(98)101-73)72(93)76(96)97/h22-30,34-35,39-40,42-44,46-47,50-62,65-73,82-85,88-93H,20-21,31-33,36-38,41H2,1-19H3,(H,79,87)(H,80,86)(H,81,95)(H,96,97)/b24-22+,25-23+,28-26+,29-27+,35-34+,45-30+,48-40+,49-39+ |
| InChIKey | HMIARJJWAVDOLU-HNLIAPJFSA-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 | 1428.890 g/mol |
| Sample ID | 30053 |
| Solvent | DMF-D7 |