2b.22b-Dihidroxy-3,21-dioxo-24-carboxyl-29-nor-friedelan methyl ester

2b.22b-Dihidroxy-3,21-dioxo-24-carboxyl-29-nor-friedelan methyl ester

Common Name: 2b.22b-Dihidroxy-3,21-dioxo-24-carboxyl-29-nor-friedelan methyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H46O6/c1-16-14-20-27(4,24(34)22(16)32)11-13-28(5)19-8-9-30(25(35)36-7)17(2)23(33)18(31)15-21(30)26(19,3)10-12-29(20,28)6/h16-21,24,31,34H,8-15H2,1-7H3/t16-,17+,18+,19+,20-,21?,24-,26-,27-,28-,29+,30+/m1/s1

InChIKey: InChIKey=MSVQOBXUOCLVIA-QPCRJFSFSA-N

Formula: C30H46O6

Molecular Weight: 502.683781

Exact Mass: 502.329439

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Duan, H.Q., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y.F., Li, D. Tetrahedron (2001) 57, 8413-24

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) 31.7
2 (CH) 74.4
3 (C) 209.7
4 (CH) 52.4
5 (C) 54.2
6 (CH2) 36.7
7 (CH2) 19.4
8 (CH) 49.61
9 (C) 37.5
10 (CH) 55.7
11 (CH2) 34.5
12 (CH2) 29.4
13 (C) 40.2
14 (C) 39.4
15 (CH2) 28.3
16 (CH2) 29.6
17 (C) 44.8
18 (CH) 45.5
19 (CH2) 31.6
20 (CH) 41.4
21 (C) 214.2
22 (CH) 77.5
23 (CH3) 7.9
24 (C) 174.2
25 (CH3) 16.8
26 (CH3) 15.5
27 (CH3) 19.4
28 (CH3) 25.4
30 (CH3) 15
24a (CH3) 51.7