(5beta,9beta,10alpha)-3alpha,7beta,12beta-Trihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone

(5beta,9beta,10alpha)-3alpha,7beta,12beta-Trihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone

Common Name: (5beta,9beta,10alpha)-3alpha,7beta,12beta-Trihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone

Synonyms: (5beta,9beta,10alpha)-3alpha,7beta,12beta-Trihydroxyabieta-8(14),13(15)-diene-16-oic acid 16,12-lactone

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-10-11-7-12-13(8-15(11)24-18(10)23)20(4)6-5-17(22)19(2,3)16(20)9-14(12)21/h7,13-17,21-22H,5-6,8-9H2,1-4H3/t13-,14+,15-,16-,17-,20+/m1/s1

InChIKey: InChIKey=HWSCNAWMFHTZCT-KSPYJRTQSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Yan, R.Y., Tan, Y.X., Cui, X.Q., Chen, R.Y., Yu, D.Q. J Nat Prod (2008) 71, 195-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 38.1
2 (CH2) 28.6
3 (CH) 78.5
4 (C) 39.3
5 (CH) 47.2
6 (CH2) 31.6
7 (CH) 72
8 (C) 153.2
9 (CH) 47.2
10 (C) 42.2
11 (CH2) 28.2
12 (CH) 76.5
13 (C) 156.4
14 (CH) 115.7
15 (C) 118.4
16 (C) 174.7
17 (CH3) 8.4
18 (CH3) 29
19 (CH3) 16.2
20 (CH3) 16.4