| SpectraBase Compound ID | 2QoLPqRlVEj |
|---|---|
| InChI | InChI=1S/C66H90O22/c1-38(22-19-23-39(2)27-28-53-62(11,12)31-49(79-43(6)70)33-64(53,15)76)21-17-18-25-48(35-67)26-20-24-40(3)29-30-66-63(13,14)32-50(34-65(66,16)88-66)84-60-57(81-45(8)72)54(75)55(51(85-60)36-77-41(4)68)87-61-59(83-47(10)74)58(82-46(9)73)56(80-44(7)71)52(86-61)37-78-42(5)69/h17-27,35,49-52,54-61,75-76H,29-34,36-37H2,1-16H3/b18-17+,22-19+,26-20+,38-21+,39-23+,40-24+,48-25-/t28?,49-,50-,51-,52+,54+,55-,56-,57-,58-,59+,60-,61?,64+,65+,66-/m1/s1 |
| InChIKey | SOLDWYGSPPCWTC-YPUQBUJZSA-N |
| Mol Weight | 1235.4 g/mol |
| Molecular Formula | C66H90O22 |
| Exact Mass | 1234.592375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESj8p06urtv |
|---|---|
| Name | P-457-HEPTAACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H90O22 |
| InChI | InChI=1S/C66H90O22/c1-38(22-19-23-39(2)27-28-53-62(11,12)31-49(79-43(6)70)33-64(53,15)76)21-17-18-25-48(35-67)26-20-24-40(3)29-30-66-63(13,14)32-50(34-65(66,16)88-66)84-60-57(81-45(8)72)54(75)55(51(85-60)36-77-41(4)68)87-61-59(83-47(10)74)58(82-46(9)73)56(80-44(7)71)52(86-61)37-78-42(5)69/h17-27,35,49-52,54-61,75-76H,29-34,36-37H2,1-16H3/b18-17+,22-19+,26-20+,38-21+,39-23+,40-24+,48-25-/t28?,49-,50-,51-,52+,54+,55-,56-,57-,58-,59+,60-,61?,64+,65+,66-/m1/s1 |
| InChIKey | SOLDWYGSPPCWTC-YPUQBUJZSA-N |
| Literature Reference Author | G.ENGLERT,T.AAKEMANN,K.SCHIEDT,S.LIAAEN-JENSEN |
| Literature Reference Citation | J.NAT.PROD.,58,1675(1995) |
| Literature Reference DOI | 10.1021/np50125a005 |
| Molecular Weight | 1235.427 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22644 |