Spektraris NMR
5α,8α-peroxydehydrotumulosic acid
Common Name: 5α,8α-peroxydehydrotumulosic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O6/c1-18(2)19(3)9-10-20(25(34)35)24-21(32)17-29(8)28(24,7)13-11-22-27(6)14-12-23(33)26(4,5)31(27)16-15-30(22,29)36-37-31/h11,15-16,18,20-21,23-24,32-33H,3,9-10,12-14,17H2,1-2,4-8H3,(H,34,35)/t20-,21-,23+,24+,27-,28-,29-,30-,31-/m1/s1
InChIKey: InChIKey=NWPSXIIQUKYLPR-WEBPQRFCSA-N
Formula: C31H46O6
Molecular Weight: 514.694517
Exact Mass: 514.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Nakamura, Y., Tokuda, H., Uchiyama, E., Suzuki, T., Kimura, Y., Uchikura, K., Nishino, H. J Nat Prod (2007) 70, 948-53
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) | 33.6 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 73 |
| 4 (C) | 41.8 |
| 5 (C) | 86.8 |
| 6 (CH) | 133.8 |
| 7 (CH) | 132.1 |
| 8 (C) | 78.7 |
| 9 (C) | 145 |
| 10 (C) | 41.3 |
| 11 (CH) | 120 |
| 12 (CH2) | 36 |
| 13 (C) | 41.8 |
| 14 (C) | 48 |
| 15 (CH2) | 42 |
| 16 (CH) | 76 |
| 17 (CH) | 56.8 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 28.6 |
| 20 (CH) | 48.3 |
| 21 (C) | 178.4 |
| 22 (CH2) | 31.5 |
| 23 (CH2) | 33.1 |
| 24 (C) | 156 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 28 (CH3) | 24.3 |
| 29 (CH3) | 19.4 |
| 30 (CH3) | 19.9 |
| 24a (CH2) | 107 |
