(18alpha,19alpha)-Urs-20(30)-ene-3beta,16beta-diol 3-hexadecanoate

(18alpha,19alpha)-Urs-20(30)-ene-3beta,16beta-diol 3-hexadecanoate

Common Name: (18alpha,19alpha)-Urs-20(30)-ene-3beta,16beta-diol 3-hexadecanoate

Synonyms: (18alpha,19alpha)-Urs-20(30)-ene-3beta,16beta-diol 3-hexadecanoate

CAS Registry Number:

InChI: InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h34-39,41,47H,2,10-32H2,1,3-9H3/t34-,35-,36+,37-,38+,39+,41-,43+,44-,45-,46-/m1/s1

InChIKey: InChIKey=SSOJEVCYYBQQEU-FIBMEZNKSA-N

Formula: C46H80O3

Molecular Weight: 681.127326

Exact Mass: 680.610746

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kundakovic, T., Fokialakis, N., Magiatis, P., Kovacevic, N., Chinou, I. Chem Pharm Bull (2004) 52, 1462-5

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) 38.41
2 (CH2) 23.67
3 (CH) 80.49
4 (C) 37.82
5 (CH) 55.43
6 (CH2) 18.12
7 (CH2) 33.92
8 (C) 39.99
9 (CH) 49.88
10 (C) 36.97
11 (CH2) 21.36
12 (CH2) 25.84
13 (CH) 38.7
14 (C) 42.31
15 (CH2) 35.98
16 (CH) 77.33
17 (C) 40.91
18 (CH) 47.56
19 (CH) 39
20 (C) 153.63
21 (CH2) 24.99
22 (CH2) 35.21
23 (CH3) 27.93
24 (CH3) 16.54
25 (CH3) 16.32
26 (CH3) 16.32
27 (CH3) 15.84
28 (CH3) 12.79
29 (CH3) 25.18
30 (CH2) 107.39
3a (C) 173.73
3b (CH2) 34.84
3c (CH2) 31.9
3d (CH2) 26.9
3e (CH2) 22.68
3f (CH2) 29.26
3g (CH2) 29.3
3h (CH2) 29.38
3i (CH2) 29.41
3j (CH2) 29.46
3k (CH2) 29.51
3l (CH2) 29.56
3m (CH2) 29.62
3n (CH2) 29.66
3o (CH2) 25.16
3p (CH3) 14.12