(1R,2R,3R,4S,5S,7R,9S,10R,11S,12R,13S,15R)-2,4-Diacetoxy-12-(acetoxymethyl)-7-hydroxy-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadec-15-yl benzoate

(1R,2R,3R,4S,5S,7R,9S,10R,11S,12R,13S,15R)-2,4-Diacetoxy-12-(acetoxymethyl)-7-hydroxy-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadec-15-yl benzoate

Common Name: (1R,2R,3R,4S,5S,7R,9S,10R,11S,12R,13S,15R)-2,4-Diacetoxy-12-(acetoxymethyl)-7-hydroxy-5,9,12-trimethyl-8-oxo-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadec-15-yl benzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H40O11/c1-16-13-33(39)24(25(16)42-18(3)35)27(43-19(4)36)32-15-41-31(6,29(33)38)26(32)23-21(30(23,5)14-40-17(2)34)12-22(32)44-28(37)20-10-8-7-9-11-20/h7-11,16,21-27,39H,12-15H2,1-6H3/t16-,21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,33+/m0/s1

InChIKey: InChIKey=XEBNGXVAVDMLCS-PMZUXHFJSA-N

Formula: C33H40O11

Molecular Weight: 612.665369

Exact Mass: 612.257062

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmad, V.U., Jassbi, A.R. Phytochemistry (1998) 48, 1217-20

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) 46.29
2 (CH) 34.07
3 (CH) 79.33
4 (CH) 52.4
5 (CH) 68.09
6 (C) 54.38
7 (CH) 76.3
8 (CH2) 24.22
9 (CH) 21.65
10 (C) 23.76
11 (CH) 14.81
12 (CH) 41.06
13 (C) 88.06
14 (C) 83.05
15 (C) 15.41
16 (CH3) 74.41
17 (CH2) 73.28
18 (CH2) 11.63
19 (CH3) 19.25
20 (CH3) 20.84
3a (C) 169.97
3b (CH3) 21.03
5a (C) 169.8
5b (CH3) 21.21
7a (C) 166.41
7b (C) 130.4
7c (CH) 129.9
7d (CH) 128.49
7e (CH) 133.33
7f (CH) 128.49
7g (CH) 129.9
18a (C) 169.8
18b (CH3) 20.84