3-{[(3α,5ξ,9ξ,12β,13ξ,17ξ,20ξ)-12-Acetoxy-20-hydroxydammar-24-en-3-yl]oxy}-3-oxopropanoic acid

3-{[(3α,5ξ,9ξ,12β,13ξ,17ξ,20ξ)-12-Acetoxy-20-hydroxydammar-24-en-3-yl]oxy}-3-oxopropanoic acid

Common Name: 3-{[(3α,5ξ,9ξ,12β,13ξ,17ξ,20ξ)-12-Acetoxy-20-hydroxydammar-24-en-3-yl]oxy}-3-oxopropanoic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H56O7/c1-21(2)11-10-15-35(9,40)23-12-17-34(8)30(23)24(41-22(3)36)19-26-32(6)16-14-27(42-29(39)20-28(37)38)31(4,5)25(32)13-18-33(26,34)7/h11,23-27,30,40H,10,12-20H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,30-,32-,33+,34+,35+/m0/s1

InChIKey: InChIKey=FYODXPUPZMUKOK-DZEMBPLKSA-N

Formula: C35H56O7

Molecular Weight: 588.816273

Exact Mass: 588.402604

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) 38.5
2 (CH2) 23.4
3 (CH) 82.6
4 (C) 38
5 (CH) 55.9
6 (CH2) 18.1
7 (CH2) 34.5
8 (C) 39.8
9 (CH) 49.9
10 (C) 37.1
11 (CH2) 28.3
12 (CH) 76.6
13 (CH) 44.9
14 (C) 52.7
15 (CH2) 31.5
16 (CH2) 27.2
17 (CH) 52.9
18 (CH3) 17.3
19 (CH3) 16.2
20 (C) 73.9
21 (CH3) 26.2
22 (CH2) 36.1
23 (CH2) 22.3
24 (CH) 125.2
25 (C) 131.4
26 (CH3) 28
27 (CH3) 17.6
28 (CH3) 25.8
29 (CH3) 16.4
30 (CH3) 15.6
3a (C) 169.7
3b (CH2) 41
3c (C) 167.3
12a (C) 176.5
12b (CH3) 21.5