Spektraris NMR
(4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-acetoxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one
![(4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-acetoxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one](/nmr/static/nmr/svg/6773.svg)
Common Name: (4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-acetoxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one
Synonyms: (4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-6beta-acetoxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one
CAS Registry Number:
InChI: InChI=1S/C18H26O7/c1-9-13-14(23-5)16(4)10(2)12(24-11(3)19)6-7-17(16,21)8-18(13,22)25-15(9)20/h10,12,14,21-22H,6-8H2,1-5H3/t10-,12-,14+,16-,17-,18-/m0/s1
InChIKey: InChIKey=WKQHWIWGPDEZEV-YELZFQPUSA-N
Formula: C18H26O7
Molecular Weight: 354.39554
Exact Mass: 354.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, S.M., Zhao, G.L., Li, R., Lin, G.Q. Phytochemistry (1998) 48, 519-24
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) | 27.4 |
| 2 (CH2) | 30 |
| 3 (CH) | 71.5 |
| 4 (CH) | 36.5 |
| 5 (C) | 47.6 |
| 6 (CH) | 79.9 |
| 7 (C) | 152.9 |
| 8 (C) | 103.5 |
| 9 (CH2) | 44.5 |
| 10 (C) | 74.7 |
| 11 (C) | 129.7 |
| 12 (C) | 170.3 |
| 13 (CH3) | 8.7 |
| 14 (CH3) | 12.5 |
| 15 (CH3) | 12.9 |
| 3a (C) | 177.1 |
| 3b (CH3) | 21.3 |
| 6a (CH3) | 57.9 |
