4α,5α-Epoxy-10α,11β,13H,14H-1-epi-inuviscolide3-β-D-glucoside

4α,5α-Epoxy-10α,11β,13H,14H-1-epi-inuviscolide3-β-D-glucoside

Common Name: 4α,5α-Epoxy-10α,11β,13H,14H-1-epi-inuviscolide3-β-D-glucoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O9/c1-8-4-12-10(9(2)18(26)27-12)6-21-11(8)5-14(20(21,3)30-21)29-19-17(25)16(24)15(23)13(7-22)28-19/h8-17,19,22-25H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+,14-,15+,16-,17+,19-,20+,21-/m0/s1

InChIKey: InChIKey=YGAQHKHUPCQICU-LIOOXQTPSA-N

Formula: C21H32O9

Molecular Weight: 428.474202

Exact Mass: 428.204633

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Mossa, J.S., ElFeraly, F.S., Muhammad, I., Zaw, K., Mbwambo, Z.H., Pezzuto, J.M., Fong, H.H.S. J Nat Prod (1997) 60, 550-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) 43.2
2 (CH2) 36.2
3 (CH) 81.9
4 (C) 71.4
5 (C) 70.7
6 (CH2) 29.5
7 (CH) 47.7
8 (CH) 83.7
9 (CH2) 41.7
10 (CH) 35.7
11 (CH) 41.7
12 (C) 182.4
13 (CH3) 10.7
14 (CH3) 15.1
15 (CH3) 13.3
1' (CH) 103.2
2' (CH) 75.3
3' (CH) 78.2
4' (CH) 71.9
5' (CH) 78.3
6' (CH2) 63.3