| SpectraBase Compound ID | FN40yGOV0Wq |
|---|---|
| InChI | InChI=1S/C63H115N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-49-42-51(72)65-55(47(9)71)61(77)67-52(43(3)4)58(74)64-46(8)62(78)70-41-38-40-50(70)57(73)68-54(45(7)13-2)60(76)66-53(44(5)6)59(75)69-56(48(10)80-11)63(79)81-49/h43-50,52-56,71H,12-42H2,1-11H3,(H,64,74)(H,65,72)(H,66,76)(H,67,77)(H,68,73)(H,69,75)/t45-,46-,47+,48+,49+,50+,52-,53-,54+,55-,56-/m0/s1 |
| InChIKey | RPSGJGYXZOOBMN-ZUILLPQWSA-N |
| Mol Weight | 1146.7 g/mol |
| Molecular Formula | C63H115N7O11 |
| Exact Mass | 1145.865458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ISqH4wORWJ |
|---|---|
| Name | PEPTIDOLIPIN_D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H115N7O11 |
| InChI | InChI=1S/C63H115N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-49-42-51(72)65-55(47(9)71)61(77)67-52(43(3)4)58(74)64-46(8)62(78)70-41-38-40-50(70)57(73)68-54(45(7)13-2)60(76)66-53(44(5)6)59(75)69-56(48(10)80-11)63(79)81-49/h43-50,52-56,71H,12-42H2,1-11H3,(H,64,74)(H,65,72)(H,66,76)(H,67,77)(H,68,73)(H,69,75)/t45-,46-,47+,48+,49+,50+,52-,53-,54+,55-,56-/m0/s1 |
| InChIKey | RPSGJGYXZOOBMN-ZUILLPQWSA-N |
| Literature Reference Author | T.P.WYCHE,Y.HOU,E.VAZQUEZ-RIVERA,D.BRAUN,T.S.BUGNI |
| Literature Reference Citation | J.NAT.PROD.,75,735(2012) |
| Literature Reference DOI | 10.1021/np300016r |
| Molecular Weight | 1146.646 g/mol |
| Sample ID | 40337 |
| Solvent | C5D5N |