(2S,3S,5S,5'R)-2,3'alpha,5'alpha-Trihydroxy-5'-(chloromethyl)-4'aalpha-acetoxymethyl-5-(3-furyl)-2',3',4,5,4'a,5',6',7',8',8'abeta-decahydro-2'alpha-methylspiro[furan-3(2H),1'(4'H)-naphthalen]-4'-one

(2S,3S,5S,5'R)-2,3'alpha,5'alpha-Trihydroxy-5'-(chloromethyl)-4'aalpha-acetoxymethyl-5-(3-furyl)-2',3',4,5,4'a,5',6',7',8',8'abeta-decahydro-2'alpha-methylspiro[furan-3(2H),1'(4'H)-naphthalen]-4'-one

Common Name: (2S,3S,5S,5'R)-2,3'alpha,5'alpha-Trihydroxy-5'-(chloromethyl)-4'aalpha-acetoxymethyl-5-(3-furyl)-2',3',4,5,4'a,5',6',7',8',8'abeta-decahydro-2'alpha-methylspiro[furan-3(2H),1'(4'H)-naphthalen]-4'-one

Synonyms: (2S,3S,5S,5'R)-2,3'alpha,5'alpha-Trihydroxy-5'-(chloromethyl)-4'aalpha-acetoxymethyl-5-(3-furyl)-2',3',4,5,4'a,5',6',7',8',8'abeta-decahydro-2'alpha-methylspiro[furan-3(2H),1'(4'H)-naphthalen]-4'-one

CAS Registry Number:

InChI: InChI=1S/C22H29ClO8/c1-12-17(25)18(26)22(11-30-13(2)24)16(4-3-6-20(22,28)10-23)21(12)8-15(31-19(21)27)14-5-7-29-9-14/h5,7,9,12,15-17,19,25,27-28H,3-4,6,8,10-11H2,1-2H3/t12-,15+,16-,17+,19+,20+,21-,22+/m1/s1

InChIKey: InChIKey=VNIGQWQAEIYFQT-KLHOLMHXSA-N

Formula: C22H31N1O8

Molecular Weight: 437.484336

Exact Mass: 437.204967

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mossner, E., delaTorre, M.C., Rodriguez, B. J Nat Prod (1996) 59, 367-73

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 24.2
2 (CH2) 21
3 (CH2) 29.2
4 (C) 75.7
5 (C) 55.9
6 (C) 211.3
7 (CH) 80.2
8 (CH) 40
9 (C) 45.5
10 (CH) 42.1
11 (CH2) 37.3
12 (CH) 70.3
13 (C) 127.9
14 (CH) 108.3
15 (CH) 144
16 (CH) 138.8
17 (CH3) 13.2
18 (CH2) 48.2
19 (CH2) 62.4
20 (CH) 99.9
19a (C) 170.1
19b (CH3) 20.5