(2R*,4R*,7R*,8S*,9S*, 1 1 R*, 12S*, 13 S*, 15 R*)-7, 12 - Diacetoxy - 8 - angeloyloxy - 4, 15 - epoxy - 3, 14 -dioxo-lathyr-5E-ene = 3-Dehydro-7,12-di-O-aeetyl-8-O-angeloyl-2-epi-ingol

(2R*,4R*,7R*,8S*,9S*, 1 1 R*, 12S*, 13 S*, 15 R*)-7, 12 - Diacetoxy - 8 - angeloyloxy - 4, 15 - epoxy - 3, 14 -dioxo-lathyr-5E-ene = 3-Dehydro-7,12-di-O-aeetyl-8-O-angeloyl-2-epi-ingol

Common Name: (2R*,4R*,7R*,8S*,9S*, 1 1 R*, 12S*, 13 S*, 15 R*)-7, 12 - Diacetoxy - 8 - angeloyloxy - 4, 15 - epoxy - 3, 14 -dioxo-lathyr-5E-ene = 3-Dehydro-7,12-di-O-aeetyl-8-O-angeloyl-2-epi-ingol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H38O9/c1-13(2)10-19(32)37-24-21-20(27(21,8)9)23(36-18(7)31)16(5)26(34)29-12-15(4)25(33)28(29,38-29)11-14(3)22(24)35-17(6)30/h10-11,15-16,20-24H,12H2,1-9H3/b14-11+/t15-,16+,20+,21-,22-,23+,24+,28+,29+/m1/s1

InChIKey: InChIKey=QUAMTQWBMZDMGY-DPUKMVABSA-N

Formula: C29H38O9

Molecular Weight: 530.607734

Exact Mass: 530.251583

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600

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) 29.1
2 (CH) 35.8
3 (C) 207.9
4 (C) 68.3
5 (CH) 113.4
6 (C) 141.4
7 (CH) 76.1
8 (CH) 70.8
9 (CH) 24.9
10 (C) 19.2
11 (CH) 30.6
12 (CH) 70.5
13 (CH) 43.3
14 (C) 206
15 (C) 71.5
16 (CH3) 13.4
17 (CH3) 17.9
18 (CH3) 29
19 (CH3) 16.1
20 (CH3) 13.3
7a (C) 170.3
7b (CH3) 21
8a (C) 166.9
8b (CH) 139.4
8c (C) 127.1
8d (CH3) 20.4
8ca (CH3) 15.7
12a (C) 169.4
12b (CH3) 21