| SpectraBase Compound ID | 40MyKMmHki8 |
|---|---|
| InChI | InChI=1S/C63H90O26/c1-28-17-22-63(75-25-28)29(2)48-45(89-63)24-44-42-16-15-40-23-41(18-20-61(40,13)43(42)19-21-62(44,48)14)84-59-57(88-58-55(82-38(11)71)52(79-35(8)68)49(30(3)76-58)77-33(6)66)54(81-37(10)70)51(47(85-59)27-74-32(5)65)87-60-56(83-39(12)72)53(80-36(9)69)50(78-34(7)67)46(86-60)26-73-31(4)64/h15,28-30,41-60H,16-27H2,1-14H3/t28-,29-,30-,41+,42-,43+,44+,45+,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63-/m1/s1 |
| InChIKey | PTZQAQONJNNRQE-LZMZWTTKSA-N |
| Mol Weight | 1263.4 g/mol |
| Molecular Formula | C63H90O26 |
| Exact Mass | 1262.572033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Y1NUeEFLC5 |
|---|---|
| Name | BALANITIN-6-NONAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H90O26 |
| InChI | InChI=1S/C63H90O26/c1-28-17-22-63(75-25-28)29(2)48-45(89-63)24-44-42-16-15-40-23-41(18-20-61(40,13)43(42)19-21-62(44,48)14)84-59-57(88-58-55(82-38(11)71)52(79-35(8)68)49(30(3)76-58)77-33(6)66)54(81-37(10)70)51(47(85-59)27-74-32(5)65)87-60-56(83-39(12)72)53(80-36(9)69)50(78-34(7)67)46(86-60)26-73-31(4)64/h15,28-30,41-60H,16-27H2,1-14H3/t28-,29-,30-,41+,42-,43+,44+,45+,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63-/m1/s1 |
| InChIKey | PTZQAQONJNNRQE-LZMZWTTKSA-N |
| Literature Reference Author | G.R.PETTIT,D.L.DOUBEK,D.L.HERALD,A.NUMATA,C.TAKAHASHI,R.FUJI KI,T.MIYAMOTO |
| Literature Reference Citation | J.NAT.PROD.,54,1491(1991) |
| Literature Reference DOI | 10.1021/np50078a002 |
| Molecular Weight | 1263.392 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED18158 |