8β-Hydroxyl-6β-angloxyeremophil-7(11)-ene-12,8α-olide-15-oic Acid

8β-Hydroxyl-6β-angloxyeremophil-7(11)-ene-12,8α-olide-15-oic Acid

Common Name: 8β-Hydroxyl-6β-angloxyeremophil-7(11)-ene-12,8α-olide-15-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O7/c1-5-10(2)17(23)26-15-14-11(3)18(24)27-20(14,25)9-12-7-6-8-13(16(21)22)19(12,15)4/h5,12-13,15,25H,6-9H2,1-4H3,(H,21,22)/b10-5-/t12-,13-,15-,19+,20+/m1/s1

InChIKey: InChIKey=XZBCMOCFJJECSB-TZPNYEDISA-N

Formula: C20H26O7

Molecular Weight: 378.417012

Exact Mass: 378.167853

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Xue, H.Q., Ma, X.M., Xing, X.L., Wang, H.Q. Chem Nat Compd (2007) 43, 746-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) 19.06
2 (CH2) 25.29
3 (CH2) 25.51
4 (CH) 41.73
5 (C) 41.76
6 (CH) 72.26
7 (C) 153.41
8 (C) 105.31
9 (CH2) 39.4
10 (CH) 36.18
11 (C) 127.7
12 (C) 172.15
13 (CH3) 9.5
14 (CH3) 18.85
15 (C) 176.28
6a (C) 166.75
6b (C) 129.08
6c (CH) 140
6d (CH3) 15.88
6e (CH3) 20.74