Spektraris NMR
3b,21a-Dihydroxy-14b,26-epoxyserratane
Common Name: 3b,21a-Dihydroxy-14b,26-epoxyserratane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)19-9-15-29-17-30(33-18-29)16-10-20-26(3,4)24(32)12-14-28(20,6)22(30)8-7-21(29)27(19,5)13-11-23(25)31/h19-24,31-32H,7-18H2,1-6H3/t19-,20-,21+,22+,23-,24-,27-,28-,29-,30-/m0/s1
InChIKey: InChIKey=SEIFNZKVTXZHNE-AMIRSHGXSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kapoor R., Rishi A.K., Bhutani K.K., Atal C.K. Planta Med (1985) 0, 334
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 39.5 |
| 2 (CH2) | 34.2 |
| 3 (CH) | 78.9 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.5 |
| 8 (C) | 56.3 |
| 9 (CH) | 39.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 19 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 54.7 |
| 14 (C) | 86.4 |
| 15 (CH2) | 45.7 |
| 16 (CH2) | 23.6 |
| 17 (CH) | 29.8 |
| 18 (C) | 49.9 |
| 19 (CH2) | 35.5 |
| 20 (CH2) | 31.9 |
| 21 (CH) | 21.6 |
| 22 (C) | 79.2 |
| 23 (CH3) | 42.7 |
| 24 (CH3) | 26.7 |
| 25 (CH3) | 21.2 |
| 26 (CH2) | 15.8 |
| 27 (CH2) | 75.3 |
| 28 (CH3) | 49.7 |
| 29 (CH3) | 18.2 |
| 30 (CH3) | 33.1 |
