(5beta,8S,9alpha,10alpha)-8,13-Epoxy-2,3-secolabda-14-ene-2,3-dioic acid

(5beta,8S,9alpha,10alpha)-8,13-Epoxy-2,3-secolabda-14-ene-2,3-dioic acid

Common Name: (5beta,8S,9alpha,10alpha)-8,13-Epoxy-2,3-secolabda-14-ene-2,3-dioic acid

Synonyms: (5beta,8S,9alpha,10alpha)-8,13-Epoxy-2,3-secolabda-14-ene-2,3-dioic acid

CAS Registry Number:

InChI: InChI=1S/C20H32O5/c1-7-18(4)10-8-14-19(5,12-15(21)22)13(17(2,3)16(23)24)9-11-20(14,6)25-18/h7,13-14H,1,8-12H2,2-6H3,(H,21,22)(H,23,24)/t13-,14+,18+,19-,20+/m1/s1

InChIKey: InChIKey=SNSXKAUSYCGEJL-QPDGGIQXSA-N

Formula: C20H32O5

Molecular Weight: 352.465847

Exact Mass: 352.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Konishi, T., Yamazoe, K., Konoshima, T., Fujiwara, Y. Phytochemistry (2003) 64, 835-40

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 40.5
2 (C) 177.7
3 (C) 187
4 (C) 45.2
5 (CH) 48.6
6 (CH2) 20.5
7 (CH2) 42.3
8 (C) 75.7
9 (CH) 49.6
10 (C) 41
11 (CH2) 16.5
12 (CH2) 34.4
13 (C) 73.3
14 (CH) 147.3
15 (CH2) 109.8
16 (CH3) 32.3
17 (CH3) 23.8
18 (CH3) 30.1
19 (CH3) 32.3
20 (CH3) 20.8