Common Name: 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
Synonyms: 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
CAS Registry Number:
InChI: InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=RLVAVWQAAQFUOP-GNYBQDBLSA-N
Formula: C35H56O8
Molecular Weight: 604.815678
Exact Mass: 604.397519
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taipale, H.T., Vepsalainen, J., Laatikainen, R., Reichardt, P.B., Lapinjoki, S.P. Phytochemistry (1993) 34, 755-8
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)
Position | PPM |
---|---|
1 (CH2) | 38.3 |
2 (CH2) | 23.2 |
3 (CH) | 82 |
4 (C) | 37.8 |
5 (CH) | 55.7 |
6 (CH2) | 17.9 |
7 (CH2) | 34.5 |
8 (C) | 39.5 |
9 (CH) | 49.5 |
10 (C) | 36.9 |
11 (CH2) | 28.2 |
12 (CH) | 75.4 |
13 (CH) | 46.2 |
14 (C) | 52 |
15 (CH2) | 31.1 |
16 (CH2) | 26.7 |
17 (CH) | 50.3 |
18 (CH3) | 17.4 |
19 (CH3) | 15.9 |
20 (C) | 85.8 |
21 (CH3) | 22 |
22 (CH2) | 38.6 |
23 (CH2) | 25.9 |
24 (CH) | 83.2 |
25 (C) | 71.5 |
26 (CH3) | 27 |
27 (CH3) | 24 |
28 (CH3) | 27.7 |
29 (CH3) | 16.2 |
30 (CH3) | 15.4 |
3a (C) | 169.7 |
3b (CH2) | 41.4 |
3c (C) | 167 |
12a (C) | 170.7 |
12b (CH3) | 21.6 |