Spektraris NMR
Durvilldiol-3,22-diacetate (3b,22a-diacetoxystictane)
Common Name: Durvilldiol-3,22-diacetate (3b,22a-diacetoxystictane)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O4/c1-21(35)37-27-15-16-32(8)24(30(27,5)6)14-18-34(10)26(32)12-11-25-31(7)20-19-29(3,4)28(38-22(2)36)23(31)13-17-33(25,34)9/h23-28H,11-20H2,1-10H3/t23-,24+,25+,26+,27+,28-,31-,32+,33+,34+/m1/s1
InChIKey: InChIKey=CLQNVQHFNHHVRX-IWOPKFDISA-N
Formula: C34H56O4
Molecular Weight: 528.807322
Exact Mass: 528.41786
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Bremer J., Ralph J., Holland P.T., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1989) 42, 243
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Stictanes; 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) | 32.8 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 81.1 |
| 4 (C) | 38.2 |
| 5 (CH) | 48 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41.8 |
| 9 (CH) | 45.8 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 21.5 |
| 13 (CH) | 48.8 |
| 14 (C) | 42.5 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 19.6 |
| 17 (CH) | 46.6 |
| 18 (C) | 38.8 |
| 19 (CH2) | 34.9 |
| 20 (CH2) | 34.9 |
| 21 (C) | 35.3 |
| 22 (CH) | 78.5 |
| 23 (CH3) | 29 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 22.7 |
| 26 (CH3) | 22.6 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 13.5 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 29.5 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.3 |
| 22a (C) | 171.1 |
| 22b (CH3) | 21 |
