| SpectraBase Compound ID | ADgWXqGeH5N |
|---|---|
| InChI | InChI=1S/C67H110O28/c1-16-30(2)60(74)90-45-28-44-63(9)19-18-38(23-37(63)17-20-66(44,76)67(77)22-21-65(75,36(8)69)64(45,67)10)88-46-24-39(78-11)54(31(3)83-46)91-47-25-40(79-12)55(32(4)84-47)92-48-26-41(80-13)56(33(5)85-48)93-49-27-42(81-14)57(34(6)86-49)94-62-53(73)59(82-15)58(35(7)87-62)95-61-52(72)51(71)50(70)43(29-68)89-61/h16-17,31-36,38-59,61-62,68-73,75-77H,18-29H2,1-15H3/b30-16+/t31-,32+,33-,34+,35-,36-,38+,39+,40-,41-,42+,43+,44-,45-,46+,47-,48+,49-,50+,51-,52+,53-,54-,55+,56-,57+,58-,59-,61-,62+,63+,64-,65-,66+,67-/m1/s1 |
| InChIKey | CSPROAQJOWGUQP-QVRPFYIHSA-N |
| Mol Weight | 1363.6 g/mol |
| Molecular Formula | C67H110O28 |
| Exact Mass | 1362.718363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92KN3BIOIZM |
|---|---|
| Name | MARSTOMENTOSIDE-K |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H110O28 |
| InChI | InChI=1S/C67H110O28/c1-16-30(2)60(74)90-45-28-44-63(9)19-18-38(23-37(63)17-20-66(44,76)67(77)22-21-65(75,36(8)69)64(45,67)10)88-46-24-39(78-11)54(31(3)83-46)91-47-25-40(79-12)55(32(4)84-47)92-48-26-41(80-13)56(33(5)85-48)93-49-27-42(81-14)57(34(6)86-49)94-62-53(73)59(82-15)58(35(7)87-62)95-61-52(72)51(71)50(70)43(29-68)89-61/h16-17,31-36,38-59,61-62,68-73,75-77H,18-29H2,1-15H3/b30-16+/t31-,32+,33-,34+,35-,36-,38+,39+,40-,41-,42+,43+,44-,45-,46+,47-,48+,49-,50+,51-,52+,53-,54-,55+,56-,57+,58-,59-,61-,62+,63+,64-,65-,66+,67-/m1/s1 |
| InChIKey | CSPROAQJOWGUQP-QVRPFYIHSA-N |
| Literature Reference Author | F.ABE,H.OKABE,T.YAMAUCHI,K.HONDA,N.HAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,869(1999) |
| Literature Reference DOI | 10.1248/cpb.47.869 |
| Molecular Weight | 1363.594 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8076 |