Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-27-28-44(7)36(42(39,4)5)26-29-45(8)37(44)25-24-34-35-32-41(2,3)30-31-43(35,6)38(47)33-46(34,45)9/h24,35-39,47H,10-23,25-33H2,1-9H3/t35-,36+,37-,38+,39+,43+,44+,45-,46-/m1/s1

InChIKey: InChIKey=BPAWXSVOAOLSRP-LIOQWVMMSA-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 : Oleananes; 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) 38.22
2 (CH2) 23.52
3 (CH) 80.45
4 (C) 37.71
5 (CH) 55.21
6 (CH2) 18.19
7 (CH2) 32.53
8 (C) 39.84
9 (CH) 46.71
10 (C) 37.31
11 (CH2) 23.52
12 (CH) 122.21
13 (C) 143.49
14 (C) 43.74
15 (CH2) 35.51
16 (CH) 65.97
17 (C) 36.72
18 (CH) 49.03
19 (CH2) 46.46
20 (C) 30.87
21 (CH2) 34.11
22 (CH2) 30.51
23 (CH3) 28.04
24 (CH3) 16.8
25 (CH3) 15.55
26 (CH3) 16.8
27 (CH3) 27.09
28 (CH3) 21.47
29 (CH3) 33.23
30 (CH3) 23.93
3a (C) 173.73
3b (CH2) 34.84
3c (CH2) 31.9
3d (CH2) 26.91
3e (CH2) 22.68
3f (CH2) 29.25
3g (CH2) 29.3
3h (CH2) 29.36
3i (CH2) 29.41
3j (CH2) 29.46
3k (CH2) 29.51
3l (CH2) 29.56
3m (CH2) 29.61
3n (CH2) 29.65
3o (CH2) 25.17
3p (CH3) 14.12