Spektraris NMR
(2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-bis(acetyloxy)-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-hydroxy-6-methylheptanoic acid
![(2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-bis(acetyloxy)-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-hydroxy-6-methylheptanoic acid](/nmr/static/nmr/svg/17434.svg)
Common Name: (2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-bis(acetyloxy)-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-hydroxy-6-methylheptanoic acid
Synonyms: (2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-bis(acetyloxy)-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-hydroxy-6-methylheptanoic acid
CAS Registry Number:
InChI: InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1
InChIKey: InChIKey=WLRJWQXWJBEULT-GAZAAFLYSA-N
Formula: C33H46O9
Molecular Weight: 586.714204
Exact Mass: 586.314183
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, M., Wang, W.L., Fang, Y.C., Zhu, T.J., Gu, Q.Q., Zhu, W.M. J Nat Prod (2008) 71, 985-9
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 (CH) | 157.2 |
| 2 (CH) | 127.8 |
| 3 (C) | 201.4 |
| 4 (CH) | 40.4 |
| 5 (CH) | 47.2 |
| 6 (CH) | 73.8 |
| 7 (C) | 208.8 |
| 8 (C) | 52.7 |
| 9 (CH) | 41.6 |
| 10 (C) | 38.2 |
| 11 (CH2) | 23.92 |
| 12 (CH2) | 25.92 |
| 13 (CH) | 49.1 |
| 14 (C) | 46.6 |
| 15 (CH2) | 40.62 |
| 16 (CH) | 73.4 |
| 17 (C) | 147.5 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 27.53 |
| 20 (C) | 130.8 |
| 21 (C) | 173.2 |
| 22 (CH2) | 28.62 |
| 23 (CH2) | 24.22 |
| 24 (CH2) | 43.02 |
| 25 (C) | 71.1 |
| 26 (CH3) | 29.1 |
| 27 (CH3) | 29.3 |
| 28 (CH3) | 13.1 |
| 30 (CH3) | 18.33 |
| 6a (C) | 168.9 |
| 6b (CH3) | 20.7 |
| 16a (C) | 170.4 |
| 16b (CH3) | 20.6 |
