Spektraris NMR
Laetiposide A
Common Name: Laetiposide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25-,26+,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1
InChIKey: InChIKey=VWMVCDKDDCSCQH-ZWNGJGPRSA-N
Formula: C37H60O9
Molecular Weight: 648.868318
Exact Mass: 648.423734
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Matsumoto, K., Arihara, S. J Nat Prod (1999) 62, 543-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 35.4 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 77.8 |
| 4 (C) | 39.1 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 72.2 |
| 8 (C) | 134.5 |
| 9 (C) | 142.1 |
| 10 (C) | 38.5 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 29.6 |
| 13 (C) | 45.6 |
| 14 (C) | 50.4 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 47.8 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 18 |
| 20 (CH) | 49.5 |
| 21 (C) | 178.8 |
| 22 (CH2) | 31.8 |
| 23 (CH2) | 32.7 |
| 24 (C) | 156 |
| 25 (CH) | 34.2 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 25.7 |
| 1' (CH) | 101.2 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78.5 |
| 4' (CH) | 72.4 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63.6 |
| 24a (CH2) | 107 |
