| SpectraBase Compound ID | 5XhaeMzcjT4 |
|---|---|
| InChI | InChI=1S/C68H81Br3O18/c1-40-11-25-55-65(3,38-72)27-9-29-67(55,5)50(40)33-87-60(64(81)83-8)49(32-58(77)85-36-53(74)43-15-21-46(70)22-16-43)62(79)89-39-66(4)28-10-30-68(6)51(41(2)12-26-56(66)68)34-86-59(63(80)82-7)48(61(78)88-37-54(75)44-17-23-47(71)24-18-44)31-57(76)84-35-52(73)42-13-19-45(69)20-14-42/h13-24,48-51,55-56,59-60,72H,1-2,9-12,25-39H2,3-8H3/t48-,49+,50-,51+,55?,56?,59-,60+,65-,66+,67+,68-/m1/s1 |
| InChIKey | IKTVPVWLXIBCSF-AMGLMUFGSA-N |
| Mol Weight | 1426.1 g/mol |
| Molecular Formula | C68H81Br3O18 |
| Exact Mass | 1422.297305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CB73rK75KQf |
|---|---|
| Name | 15-HYDROXY-CRYPTOPORIC ACID C-6',6'''-DI-(P-BROMOPHENYL-CARBONYL-METHYLESTER) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C68H81Br3O18 |
| InChI | InChI=1S/C68H81Br3O18/c1-40-11-25-55-65(3,38-72)27-9-29-67(55,5)50(40)33-87-60(64(81)83-8)49(32-58(77)85-36-53(74)43-15-21-46(70)22-16-43)62(79)89-39-66(4)28-10-30-68(6)51(41(2)12-26-56(66)68)34-86-59(63(80)82-7)48(61(78)88-37-54(75)44-17-23-47(71)24-18-44)31-57(76)84-35-52(73)42-13-19-45(69)20-14-42/h13-24,48-51,55-56,59-60,72H,1-2,9-12,25-39H2,3-8H3/t48-,49+,50-,51+,55?,56?,59-,60+,65-,66+,67+,68-/m1/s1 |
| InChIKey | IKTVPVWLXIBCSF-AMGLMUFGSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |