| SpectraBase Compound ID | DEnGJ9lWift |
|---|---|
| InChI | InChI=1S/C57H96N6O18/c1-22-31(16)43-49(67)61-37(25(4)5)52(70)76-35(20)47(65)59-41(29(12)13)56(74)80-45(33(18)24-3)51(69)63-39(27(8)9)54(72)78-36(21)48(66)60-42(30(14)15)57(75)81-44(32(17)23-2)50(68)62-38(26(6)7)53(71)77-34(19)46(64)58-40(28(10)11)55(73)79-43/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+/m0/s1 |
| InChIKey | NWXOLMBBOHPPQK-ACQPPXRZSA-N |
| Mol Weight | 1153.4 g/mol |
| Molecular Formula | C57H96N6O18 |
| Exact Mass | 1152.67811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BxaR0w4iAE |
|---|---|
| Name | BACILLISTATIN_1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H96N6O18 |
| InChI | InChI=1S/C57H96N6O18/c1-22-31(16)43-49(67)61-37(25(4)5)52(70)76-35(20)47(65)59-41(29(12)13)56(74)80-45(33(18)24-3)51(69)63-39(27(8)9)54(72)78-36(21)48(66)60-42(30(14)15)57(75)81-44(32(17)23-2)50(68)62-38(26(6)7)53(71)77-34(19)46(64)58-40(28(10)11)55(73)79-43/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+/m0/s1 |
| InChIKey | NWXOLMBBOHPPQK-ACQPPXRZSA-N |
| Literature Reference Author | G.R.PETTIT,J.C.KNIGHT,D.L.HERALD,R.K.PETTIT,F.HOGAN,V.J.R.V. MUKKU,J.S.HAMBLIN,M. |
| Literature Reference Citation | J.NAT.PROD.,72,366(2009) |
| Literature Reference DOI | 10.1021/np800603u |
| Molecular Weight | 1153.419 g/mol |
| Sample ID | 32256 |
| Solvent | CD3OD |