| SpectraBase Compound ID | B3OkzYvU0Y6 |
|---|---|
| InChI | InChI=1S/C49H76N12O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-35(25-41(53)67)46(72)60-36(26-62)47(73)59-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,74)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,73)(H,60,72)/t29-,31+,32-,33-,34+,35-,36+,37-/m1/s1 |
| InChIKey | GOTAHJWMHYHCMJ-QELNVSPYSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C49H76N12O14 |
| Exact Mass | 1056.560395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcTRlu5Yj4X |
|---|---|
| Name | MARIBASIN-A;CYCLO-(D-PRO-L-GLN-L-ASN-L-SER-D-ASN(1)-D-TYR-D-ASN(2)-D-BETA-AMINOISOPENTADECANOIC-ACID) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76N12O14 |
| InChI | InChI=1S/C49H76N12O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-35(25-41(53)67)46(72)60-36(26-62)47(73)59-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,74)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,73)(H,60,72)/t29-,31+,32-,33-,34+,35-,36+,37-/m1/s1 |
| InChIKey | GOTAHJWMHYHCMJ-QELNVSPYSA-N |
| Literature Reference Author | D.J.ZHANG,R.F.LIU,Y.G.LI,L.TAO,L.TIAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1630(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1630 |
| Molecular Weight | 1057.214 g/mol |
| Source File Reference | UWBT4009 |