6alpha-Hydroxy-8-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid

6alpha-Hydroxy-8-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid

Common Name: 6alpha-Hydroxy-8-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid

Synonyms: 6alpha-Hydroxy-8-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid

CAS Registry Number:

InChI: InChI=1S/C18H30O5/c1-11(19)23-18(5)10-12(20)15-16(2,3)7-6-8-17(15,4)13(18)9-14(21)22/h12-13,15,20H,6-10H2,1-5H3,(H,21,22)/t12-,13+,15-,17+,18+/m0/s1

InChIKey: InChIKey=OSWSYDQFFDHNBY-ORAAPJFESA-N

Formula: C18H30O5

Molecular Weight: 326.428493

Exact Mass: 326.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Topcu, G., Ulubelen, A., Tam, T.C.M., Che, C.T. J Nat Prod (1996) 59, 113-6

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) 40.44
2 (CH2) 19.15
3 (CH2) 44.81
4 (C) 34.66
5 (CH) 61.38
6 (CH) 69.53
7 (CH2) 50.4
8 (C) 8.65
9 (CH) 55.82
10 (C) 39.76
11 (CH2) 31.55
12 (C) 171.94
17 (CH3) 21.8
18 (CH3) 37
19 (CH3) 22.4
20 (CH3) 17.3
8a (C) 22.68
8b (CH3) 170