11,16-dihydroxy-12-O-b-D-glucopyranosyl-17(15-->16),18(4-->)-abeo-4-carboxy-3,8,11,13-abietatetraen-7-one

11,16-dihydroxy-12-O-b-D-glucopyranosyl-17(15-->16),18(4-->)-abeo-4-carboxy-3,8,11,13-abietatetraen-7-one

Common Name: 11,16-dihydroxy-12-O-b-D-glucopyranosyl-17(15-->16),18(4-->)-abeo-4-carboxy-3,8,11,13-abietatetraen-7-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O12/c1-9-4-5-26(3)12(15(9)24(35)36)7-13(29)16-17(26)20(32)23(11(18(16)30)6-10(2)28)38-25-22(34)21(33)19(31)14(8-27)37-25/h10,12,14,19,21-22,25,27-28,30-34H,4-8H2,1-3H3,(H,35,36)/t10?,12-,14+,19+,21-,22+,25-,26-/m0/s1

InChIKey: InChIKey=ATOVDQVTJBFUKV-IKODMETNSA-N

Formula: C26H34O12

Molecular Weight: 538.541978

Exact Mass: 538.205027

NMR Solvent: A+W

MHz:

Calibration:

NMR references: 13C - Liu, S., Zhu, H., Zhang, S., Zhang, X., Yu, Q., Xuan, L. J Nat Prod (2008) 71, 755-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) 31.1
2 (CH2) 28.2
3 (C) 127.7
4 (C) 132.5
5 (CH) 41.6
6 (CH2) 37.8
7 (C) 202.1
8 (C) 129.3
9 (C) 139.4
10 (C) 37.5
11 (C) 148.5
12 (C) 149.3
13 (C) 131.6
14 (C) 121.8
15 (CH2) 38.9
16 (CH) 67.7
17 (CH3) 22.1
18 (C) 178.6
19 (CH3) 19.8
20 (CH3) 15.2
1' (CH) 105.7
2' (CH) 73.8
3' (CH) 76.8
4' (CH) 69.3
5' (CH) 76.1
6' (CH2) 60.5