| SpectraBase Compound ID | 8aHiL40UyuT |
|---|---|
| InChI | InChI=1S/C64H114O25/c1-11-14-16-17-18-19-22-26-30-34-43(66)84-58-57(89-60-50(73)46(69)44(67)36(5)78-60)55(87-61-51(74)48(71)53(38(7)80-61)85-59(76)35(4)13-3)40(9)82-64(58)86-54-39(8)81-62(52(75)49(54)72)88-56-47(70)45(68)37(6)79-63(56)83-41(31-27-15-12-2)32-28-24-21-20-23-25-29-33-42(65)77-10/h35-41,44-58,60-64,67-75H,11-34H2,1-10H3/t35?,36-,37-,38+,39+,40+,41+,44-,45+,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+,56-,57-,58-,60-,61+,62+,63+,64+/m1/s1 |
| InChIKey | CNZOUHRASJVOTA-ZOOVPLOXSA-N |
| Mol Weight | 1283.6 g/mol |
| Molecular Formula | C64H114O25 |
| Exact Mass | 1282.764919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4LizYTPeVZ |
|---|---|
| Name | PESCAPROSIDE_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H114O25 |
| InChI | InChI=1S/C64H114O25/c1-11-14-16-17-18-19-22-26-30-34-43(66)84-58-57(89-60-50(73)46(69)44(67)36(5)78-60)55(87-61-51(74)48(71)53(38(7)80-61)85-59(76)35(4)13-3)40(9)82-64(58)86-54-39(8)81-62(52(75)49(54)72)88-56-47(70)45(68)37(6)79-63(56)83-41(31-27-15-12-2)32-28-24-21-20-23-25-29-33-42(65)77-10/h35-41,44-58,60-64,67-75H,11-34H2,1-10H3/t35?,36-,37-,38+,39+,40+,41+,44-,45+,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+,56-,57-,58-,60-,61+,62+,63+,64+/m1/s1 |
| InChIKey | CNZOUHRASJVOTA-ZOOVPLOXSA-N |
| Literature Reference Author | C.ESCOBEDO-MARTINEZ,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,70,974(2007) |
| Literature Reference DOI | 10.1021/np070040h |
| Molecular Weight | 1283.594 g/mol |
| Sample ID | 30495 |
| Solvent | C5D5N |