Common Name: Methyl (3S)-3-acetoxy-3-[(3R,3aS,5aR,6R,7R,9aR,9bR,10aS)-3-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-1,9-dioxododecahydrobenzo[f]oxireno[d]isochromen-6-yl]prop anoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18+,20?,21+,22-,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=TVFBTTNICRJUHG-XOMDJUCQSA-N
Formula: C29H38O12
Molecular Weight: 578.605949
Exact Mass: 578.236327
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakagawa, H., Takaishi, Y., Tanaka, N., Tsuchiya, K., Shibata, H., Higuti, T. J Nat Prod (2006) 69, 1177-9
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)
Position | PPM |
---|---|
1 (CH) | 76 |
2 (CH2) | 35.3 |
3 (C) | 171.8 |
4 (C) | 74.3 |
5 (CH) | 52.9 |
6 (CH2) | 38.9 |
7 (C) | 209.5 |
8 (C) | 52.2 |
9 (CH) | 44.5 |
10 (C) | 46.1 |
11 (CH2) | 18.7 |
12 (CH2) | 29.7 |
13 (C) | 37.5 |
14 (C) | 65.1 |
15 (CH) | 52.8 |
16 (C) | 170.6 |
17 (CH) | 75.6 |
18 (CH3) | 21 |
19 (CH3) | 16.5 |
20 (C) | 133.1 |
21 (C) | 170.6 |
22 (CH) | 152.1 |
23 (CH) | 97 |
28 (CH3) | 33.8 |
29 (CH3) | 27.4 |
30 (CH3) | 16.5 |
1a (C) | 170.6 |
1b (CH3) | 21 |
3a (CH3) | 52.2 |