(2S*,3S*,4R*,5R*,6S*,8R*,11 S*,12S*,13R*,14R*,15 R*)- 6,11,14,-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy- 15-hydroxy-9-oxo-segetane

(2S*,3S*,4R*,5R*,6S*,8R*,11 S*,12S*,13R*,14R*,15 R*)- 6,11,14,-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy- 15-hydroxy-9-oxo-segetane

Common Name: (2S*,3S*,4R*,5R*,6S*,8R*,11 S*,12S*,13R*,14R*,15 R*)- 6,11,14,-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy- 15-hydroxy-9-oxo-segetane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H46O14/c1-18-14-37(45)27(28(18)50-32(44)23-12-10-9-11-13-23)31(49-25(42)16-46-19(2)38)36(51-22(5)41)15-24-26(35(8,17-36)33(37)48-21(4)40)30(47-20(3)39)34(6,7)29(24)43/h9-13,18,24,26-28,30-31,33,45H,14-17H2,1-8H3/t18-,24+,26+,27+,28-,30-,31+,33+,35?,36?,37+/m0/s1

InChIKey: InChIKey=RCVCMLLRUPYTNC-BBJHNKJKSA-N

Formula: C37H46O14

Molecular Weight: 714.754172

Exact Mass: 714.288756

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jakupovic, J., Morgenstern, T., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1611-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Segetanes; 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) 50.3
2 (CH) 37.1
3 (CH) 80.8
4 (CH) 48.2
5 (CH) 70
6 (C) 81.6
7 (CH2) 37
8 (CH) 45.1
9 (C) 214.7
10 (C) 49.4
11 (CH) 77.8
12 (CH) 50.8
13 (C) 40.9
14 (CH) 75
15 (C) 83
16 (CH3) 14.2
17 (CH2) 38.9
18 (CH3) 18.4
19 (CH3) 25.1
20 (CH3) 32
3a (C) 165.9
3b (C) 129.3
3c (CH) 129.2
3d (CH) 128.8
3e (CH) 133.4
3f (CH) 128.8
3g (CH) 129.2
5a (C) 167
5b (CH2) 60.4
5c (C) 170
5d (CH3) 20.3
6a (C) 170.7
6b (CH3) 21.7
11a (C) 170.5
11b (CH3) 20.9
14a (C) 170
14b (CH3) 21