Spektraris NMR
(3β,5ξ,13ξ,24S)-3,19:20,24-Diepoxydammarane-3,17,25-triol
Common Name: (3β,5ξ,13ξ,24S)-3,19:20,24-Diepoxydammarane-3,17,25-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-23(2)19-10-12-25(5)20(28(19)15-17-30(23,33)34-18-28)8-9-21-26(25,6)14-16-29(21,32)27(7)13-11-22(35-27)24(3,4)31/h19-22,31-33H,8-18H2,1-7H3/t19-,20-,21-,22-,25+,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=BTVMLQYJJPMVTG-HFXFEHNWSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagaya, H., Tobita, Y., Nagae, T., Itokawa, H., Takeya, K., Halim, A.F., AbdelHalim, O.B. Phytochemistry (1997) 44, 1115-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 37 |
| 2 (CH2) | 29.6 |
| 3 (C) | 98 |
| 4 (C) | 40.5 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.8 |
| 9 (CH) | 45.9 |
| 10 (C) | 35.6 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 45.4 |
| 14 (C) | 50.2 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 23.5 |
| 17 (C) | 83.9 |
| 18 (CH3) | 16.7 |
| 19 (CH2) | 68.1 |
| 20 (C) | 90 |
| 21 (CH3) | 22.2 |
| 22 (CH2) | 35.6 |
| 23 (CH2) | 32.8 |
| 24 (CH) | 83.5 |
| 25 (C) | 71.9 |
| 26 (CH3) | 26.8 |
| 27 (CH3) | 25.1 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 18.5 |
| 30 (CH3) | 15.3 |
