Methyl (3S,6aR,8aS,14bR)-3-acetoxy-4,4,6a,11,11,14b-hexamethyl-13-methylene-2,3,4,4a,5,6,6a,8,9,10,11,12,12a,13,13a,14,14a,14b-octadecahydrobenzo[f]naphtho[2,1-a]azulene-8a(1H)-carboxylate

Methyl (3S,6aR,8aS,14bR)-3-acetoxy-4,4,6a,11,11,14b-hexamethyl-13-methylene-2,3,4,4a,5,6,6a,8,9,10,11,12,12a,13,13a,14,14a,14b-octadecahydrobenzo[f]naphtho[2,1-a]azulene-8a(1H)-carboxylate

Common Name: Methyl (3S,6aR,8aS,14bR)-3-acetoxy-4,4,6a,11,11,14b-hexamethyl-13-methylene-2,3,4,4a,5,6,6a,8,9,10,11,12,12a,13,13a,14,14a,14b-octadecahydrobenzo[f]naphtho[2,1-a]azulene-8a(1H)-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H50O4/c1-20-22-18-26-31(7,13-11-25-30(5,6)27(37-21(2)34)12-14-32(25,26)8)23(22)10-15-33(28(35)36-9)17-16-29(3,4)19-24(20)33/h10,22,24-27H,1,11-19H2,2-9H3/t22?,24?,25-,26-,27-,31-,32-,33+/m0/s1

InChIKey: InChIKey=BWFQDJHFKDFSOB-OMMBXZMMSA-N

Formula: C33H50O4

Molecular Weight: 510.748942

Exact Mass: 510.37091

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503

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) 37.9
2 (CH2) 23.5
3 (CH) 81.2
4 (C) 37.8
5 (CH) 56.4
6 (CH2) 19
7 (CH2) 27.1
8 (C) 46.2
9 (CH) 59.6
10 (C) 36.8
11 (CH2) 38
12 (CH) 42
13 (C) 155.5
14 (C) 157.1
15 (CH) 113.1
16 (CH2) 31.9
17 (C) 50.4
18 (CH) 41.1
19 (CH2) 38.6
20 (C) 29.7
21 (CH2) 33.7
22 (CH2) 34.7
23 (CH3) 27.5
24 (CH3) 16.4
25 (CH3) 15.5
26 (CH3) 31.9
27 (CH2) 105.4
28 (C) 179.9
29 (CH3) 28.2
30 (CH3) 22.3
3a (C) 171
3b (CH3) 21.4
28a (CH3) 51.9