(1S,3abeta,8aalpha)-1-Methyl-4-methylene-7beta-isopropyldecahydroazulene-1alpha,2beta,6alpha,8alpha-tetraol 2,6,8-triacetate

(1S,3abeta,8aalpha)-1-Methyl-4-methylene-7beta-isopropyldecahydroazulene-1alpha,2beta,6alpha,8alpha-tetraol 2,6,8-triacetate

Common Name: (1S,3abeta,8aalpha)-1-Methyl-4-methylene-7beta-isopropyldecahydroazulene-1alpha,2beta,6alpha,8alpha-tetraol 2,6,8-triacetate

Synonyms: (1S,3abeta,8aalpha)-1-Methyl-4-methylene-7beta-isopropyldecahydroazulene-1alpha,2beta,6alpha,8alpha-tetraol 2,6,8-triacetate

CAS Registry Number:

InChI: InChI=1S/C21H32O7/c1-10(2)18-16(26-12(4)22)8-11(3)15-9-17(27-13(5)23)21(7,25)19(15)20(18)28-14(6)24/h10,15-20,25H,3,8-9H2,1-2,4-7H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1

InChIKey: InChIKey=BUGLHVRUBMRPRP-SRWWVFQWSA-N

Formula: C21H32O7

Molecular Weight: 396.475392

Exact Mass: 396.214803

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Liu, Y., Li, C., Shi, J.G., Shi, Y.P. Helv Chim Acta (2009) 92, 335-8

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) 40.3
2 (CH2) 35.5
3 (CH) 78.3
4 (C) 78.7
5 (CH) 56.4
6 (CH) 70.5
7 (CH) 49.6
8 (CH) 72.9
9 (CH2) 39.7
10 (C) 148.7
11 (CH) 28.9
12 (CH3) 20.9
13 (CH3) 20.2
14 (CH2) 111.6
15 (CH3) 21.4
3a (C) 170.2
3b (CH3) 21.4
6a (C) 171.1
6b (CH3) 21.1
8a (C) 170.2
8b (CH3) 21