| SpectraBase Spectrum ID |
LZhWjKw3FAV |
| Name |
(1S,3R,3aR,5aS,6S,9aS)-3a-Hydroxymethyl-6,9a-dimethyl-1-(3-furyl)-6-methoxycarbonyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydronaphtho[2,1-b]furan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.209324061 u |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-19-7-4-8-20(2,18(23)24-3)16(19)5-9-21(13-22)17(19)11-15(26-21)14-6-10-25-12-14/h6,10,12,15-17,22H,4-5,7-9,11,13H2,1-3H3/t15-,16-,17+,19-,20-,21-/m0/s1 |
| InChIKey |
KSWAGSHUZOCLFW-ICLLYECISA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.d18 |
| Molecular Weight |
362.466 g/mol |
| Optical Rotation |
[a]D20 = +35 (580nm) (c = 6.6) |
| Quality |
65 |
| SMILES |
OC[C@@]12CC[C@]3([C@](CCC[C@]3(C)C(OC)=O)([C@]1(C[C@](O2)(C=1C=COC1)[H])[H])C)[H] |
| SPLASH |
splash10-001i-0339000000-2b161c41530d7c6885e1 |
| Source of Spectrum |
ARK-2003-177-8 (DOI: 10.3998/ark.5550190.0004.d18) |
| Wiley ID |
1899779 |
![(1S,3R,3aR,5aS,6S,9aS)-3a-Hydroxymethyl-6,9a-dimethyl-1-(3-furyl)-6-methoxycarbonyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydronaphtho[2,1-b]furan](/api/spectrum/LZhWjKw3FAV/structure.png?h=300&w=458 "(1S,3R,3aR,5aS,6S,9aS)-3a-Hydroxymethyl-6,9a-dimethyl-1-(3-furyl)-6-methoxycarbonyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydronaphtho[2,1-b]furan")
