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

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

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)

Carbon NMR Peaks

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