(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid

(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid

Common Name: (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid

Synonyms: (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C39H52O5/c1-34(2)29-14-13-28-27(37(29,5)18-17-31(34)44-32(41)15-10-25-8-11-26(40)12-9-25)16-19-39(7)30-24-36(4,33(42)43)21-20-35(30,3)22-23-38(28,39)6/h8-13,15-16,29-31,40H,14,17-24H2,1-7H3,(H,42,43)/b15-10+/t29-,30+,31-,35+,36+,37+,38+,39-/m0/s1

InChIKey: InChIKey=NOTQCQMXZCILJE-WYGBHMDXSA-N

Formula: C39H52O5

Molecular Weight: 600.828644

Exact Mass: 600.381475

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chen, C.R., Chen, H.W., Chang, C.I. Chem Pharm Bull (2008) 56, 385-8

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:C-Friedooleananes; 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) 35.3
2 (CH2) 24.5
3 (CH) 81.2
4 (C) 38.3
5 (CH) 48.3
6 (CH2) 23.9
7 (CH) 118
8 (C) 141.9
9 (C) 144.3
10 (C) 36.4
11 (CH) 114.6
12 (CH2) 39.1
13 (C) 40.7
14 (C) 37.7
15 (CH2) 27.2
16 (CH2) 37.2
17 (C) 31.6
18 (CH) 45.4
19 (CH2) 30.7
20 (C) 40.4
21 (CH2) 29.7
22 (CH2) 32.8
23 (CH3) 27.9
24 (CH3) 16.7
25 (CH3) 20.8
26 (CH3) 19.2
27 (CH3) 20.5
28 (CH3) 31.2
29 (C) 182.8
30 (CH3) 33.3
3a (C) 167.6
3b (CH) 116.4
3c (CH) 144.4
3d (C) 127.6
3e (CH) 130.2
3f (CH) 116.1
3g (C) 157.8
3h (CH) 116.1
3i (CH) 130.2