Methyl 8a-hydroxy-8,30-dihydroangolensate

Methyl 8a-hydroxy-8,30-dihydroangolensate

Common Name: Methyl 8a-hydroxy-8,30-dihydroangolensate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O8/c1-23(2)17(11-20(29)32-6)25(4)16-7-9-24(3)22(15-8-10-33-14-15)34-21(30)13-27(24,26(16,5)31)35-19(25)12-18(23)28/h8,10,14,16-17,19,22,31H,7,9,11-13H2,1-6H3/t16-,17+,19+,22+,24+,25-,26-,27-/m1/s1

InChIKey: InChIKey=AJGPLSFXCODLPT-PQNFZEBCSA-N

Formula: C27H36O8

Molecular Weight: 488.570976

Exact Mass: 488.241018

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, X.N., Fan, C.Q., Yin, S., Gan, L.S., Yue, J.M. Phytochemistry (2008) 69, 1319-27

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) 76.5
2 (CH2) 41.9
3 (C) 213.5
4 (C) 48
5 (CH) 46
6 (CH2) 33.3
7 (C) 173.9
8 (C) 73.4
9 (CH) 48.3
10 (C) 42.6
11 (CH2) 18.2
12 (CH2) 29
13 (C) 41.4
14 (C) 77.6
15 (CH2) 35.3
16 (C) 170.8
17 (CH) 81.2
18 (CH3) 15.2
19 (CH3) 24.6
20 (C) 120.9
21 (CH) 140.8
22 (CH) 110.2
23 (CH) 142.7
28 (CH3) 30.2
29 (CH3) 20.8
30 (CH3) 29.7
7a (CH3) 52.1