Spektraris NMR
(9beta,24E)-3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid
Common Name: (9beta,24E)-3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid
Synonyms: (9beta,24E)-3,4-Secolanosta-4(28),7,24-triene-3,26-dioic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,24-,28+,29-,30+/m1/s1
InChIKey: InChIKey=VGVAABHRCNAZRM-WNWTZUNUSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kim, H.J., Choi, E.H., Lee, I.S. Phytochemistry (2004) 65, 2545-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 29.7 |
| 2 (CH2) | 30 |
| 3 (C) | 177 |
| 4 (C) | 150.4 |
| 5 (CH) | 45.6 |
| 6 (CH2) | 30 |
| 7 (CH) | 118.3 |
| 8 (C) | 147.1 |
| 9 (CH) | 39.2 |
| 10 (C) | 36.7 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 34.2 |
| 13 (C) | 44 |
| 14 (C) | 51.8 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 53.3 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 24.4 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 35.2 |
| 23 (CH2) | 26 |
| 24 (CH) | 142.5 |
| 25 (C) | 129 |
| 26 (C) | 170.7 |
| 27 (CH3) | 12.9 |
| 28 (CH2) | 112.1 |
| 29 (CH3) | 26.1 |
| 30 (CH3) | 27.6 |
