| SpectraBase Compound ID | 2MQogJlVUao |
|---|---|
| InChI | InChI=1S/C59H97BrO12/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-28-56(67)70-47(35-44(6)51(39-60)69-11)36-49(62)45(7)50(63)38-53(65)58(8,9)52(64)32-43(5)33-54(66)59(10)55-37-48(72-59)31-42(4)29-41(3)30-46(61)27-25-26-40(2)34-57(68)71-55/h25-26,29,33-34,39,45-50,52-55,61-66H,3,6,12-24,27-28,30-32,35-38H2,1-2,4-5,7-11H3/b26-25+,40-34+,42-29+,43-33+,51-39+/t45-,46-,47+,48+,49+,50-,52+,53+,54-,55-,59-/m1/s1 |
| InChIKey | ZQZINNIFSWTJMU-DKOFDWMXSA-N |
| Mol Weight | 1078.3 g/mol |
| Molecular Formula | C59H97BrO12 |
| Exact Mass | 1076.616342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIJYaE3G5TE |
|---|---|
| Name | PHORMIDOLIDE;#1;HEXADECANOIC-ACID-1-(4-BROMO-3-METHOXY-2-METHYLENEBUT-3-ENYL)-3,5,7,9,13-PENTAHYDROXY-13-(9-HYDROXY-5,13,17-TRIMETHYL-11-METHYLENE-3-OXO-2,16-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H97BrO12 |
| InChI | InChI=1S/C59H97BrO12/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-28-56(67)70-47(35-44(6)51(39-60)69-11)36-49(62)45(7)50(63)38-53(65)58(8,9)52(64)32-43(5)33-54(66)59(10)55-37-48(72-59)31-42(4)29-41(3)30-46(61)27-25-26-40(2)34-57(68)71-55/h25-26,29,33-34,39,45-50,52-55,61-66H,3,6,12-24,27-28,30-32,35-38H2,1-2,4-5,7-11H3/b26-25+,40-34+,42-29+,43-33+,51-39+/t45-,46-,47+,48+,49+,50-,52+,53+,54-,55-,59-/m1/s1 |
| InChIKey | ZQZINNIFSWTJMU-DKOFDWMXSA-N |
| Literature Reference Author | R.T.WILLIAMSON,A.BOULANGER,A.VULPANOVICI,M.A.ROBERTS,W.H.GER WICK |
| Literature Reference Citation | J.ORG.CHEM.,67,7927(2002) |
| Literature Reference DOI | 10.1021/jo020240s |
| Molecular Weight | 1078.316 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS23437 |