6b-Hydroxyorthosphenic acid methyl ester

6b-Hydroxyorthosphenic acid methyl ester

Common Name: 6b-Hydroxyorthosphenic acid methyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O6/c1-17-29-16-36-30(17,35)22(32)14-19(29)26(4)10-12-28(6)20-15-25(3,23(33)34)8-7-24(20,2)9-11-27(28,5)18(26)13-21(29)31/h17-22,31-32,35H,7-16H2,1-6H3,(H,33,34)/t17-,18+,19+,20-,21-,22-,24-,25-,26-,27-,28+,29-,30-/m1/s1

InChIKey: InChIKey=AVUJRZZPEKNXMR-OZGHCOKWSA-N

Formula: C30H48O6

Molecular Weight: 504.699663

Exact Mass: 504.345089

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gonzalez A.G., Gonzalez C.M., Ferro E.A., Ravelo A.G., Dominguez X.A J Chem Res (1988) 20, 273

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) 26.9
2 (CH) 73
3 (C) 106.5
4 (CH) 45.9
5 (C) 52.9
6 (CH) 72.9
7 (CH2) 26.9
8 (CH) 46.7
9 (C) 37.2
10 (CH) 53
11 (CH2) 34.2
12 (CH2) 30.6
13 (C) 39.1
14 (C) 39.3
15 (CH2) 30.2
16 (CH2) 36.3
17 (C) 30.3
18 (CH) 44.7
19 (CH2) 29.2
20 (C) 40.7
21 (CH2) 29.3
22 (CH2) 36.7
23 (CH3) 10
24 (CH2) 64.7
25 (CH3) 17.6
26 (CH3) 16.7
27 (CH3) 16.3
28 (CH3) 32
29 (C) 179.2
30 (CH3) 32.1
29a (CH3) 51.7