| SpectraBase Compound ID | IpxqpcoBnCa |
|---|---|
| InChI | InChI=1S/C59H104O23/c1-12-13-18-43(57(71)76-11)58(72)79-41-17-15-19-44(64)55-53(81-55)34(6)52(33(5)51(69)32(4)50(68)31(3)35(7)77-49-28-47(74-9)54(75-10)36(8)78-49)80-48(67)20-14-16-37(60)23-39(62)24-38(61)22-21-30(2)46(66)29-59(73)56(70)45(65)27-42(82-59)26-40(63)25-41/h14,20,30-47,49-56,60-66,68-70,73H,12-13,15-19,21-29H2,1-11H3/b20-14+/t30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,41?,42-,43?,44?,45+,46?,47-,49+,50?,51?,52?,53?,54+,55?,56-,59+/m1/s1 |
| InChIKey | AXFOSMASHUQEMX-LPKCMTIDSA-N |
| Mol Weight | 1181.5 g/mol |
| Molecular Formula | C59H104O23 |
| Exact Mass | 1180.69684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOvA5TBWAtT |
|---|---|
| Name | BRASILINOLIDE-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H104O23 |
| InChI | InChI=1S/C59H104O23/c1-12-13-18-43(57(71)76-11)58(72)79-41-17-15-19-44(64)55-53(81-55)34(6)52(33(5)51(69)32(4)50(68)31(3)35(7)77-49-28-47(74-9)54(75-10)36(8)78-49)80-48(67)20-14-16-37(60)23-39(62)24-38(61)22-21-30(2)46(66)29-59(73)56(70)45(65)27-42(82-59)26-40(63)25-41/h14,20,30-47,49-56,60-66,68-70,73H,12-13,15-19,21-29H2,1-11H3/b20-14+/t30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,41?,42-,43?,44?,45+,46?,47-,49+,50?,51?,52?,53?,54+,55?,56-,59+/m1/s1 |
| InChIKey | AXFOSMASHUQEMX-LPKCMTIDSA-N |
| Literature Reference Author | Y.MIKAMI,H.KOMAKI,T.IMAI,K.YAZAWA,A.NEMOTO,Y.TANAKA,U.GRAEFE |
| Literature Reference Citation | J.ANTIBIOTICS,53,70(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.70 |
| Molecular Weight | 1181.461 g/mol |
| Solvent | DMSO-D6 |