Spektraris NMR
2a,3a-Dihydroxyurs-11-ene-13‚-28-olide
Common Name: 2a,3a-Dihydroxyurs-11-ene-13‚-28-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-17-8-12-29-15-14-28(7)27(6)11-9-20-25(3,4)23(32)19(31)16-26(20,5)21(27)10-13-30(28,34-24(29)33)22(29)18(17)2/h10,13,17-23,31-32H,8-9,11-12,14-16H2,1-7H3/t17-,18+,19-,20+,21-,22-,23-,26+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=MFKDWUVVBCMPAJ-HTSQZFSQSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikuta, A., Tomiyasu, H., Morita, Y., Yoshimura, K. J Nat Prod (2003) 66, 1051-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 42.5 |
| 2 (CH) | 65.6 |
| 3 (CH) | 79.1 |
| 4 (C) | 38.6 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 31.7 |
| 8 (C) | 42 |
| 9 (CH) | 53.1 |
| 10 (C) | 37.6 |
| 11 (CH) | 133.4 |
| 12 (CH) | 129.2 |
| 13 (C) | 89.1 |
| 14 (C) | 42 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 22.9 |
| 17 (C) | 44.9 |
| 18 (CH) | 60.2 |
| 19 (CH) | 37.8 |
| 20 (CH) | 40 |
| 21 (CH2) | 30.7 |
| 22 (CH2) | 31.3 |
| 23 (CH3) | 29.7 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 19 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 15.8 |
| 28 (C) | 179.2 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 18.7 |
