| SpectraBase Spectrum ID |
12ePQcejoG |
| Name |
(9R,11S,14RS)-8,9,13-triacetoxy-11,14-epoxy-17-nor-8,9-secolabdane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H42O7 |
| InChI |
InChI=1S/C25H42O7/c1-15(29-17(3)26)11-12-21-20(10-9-13-24(21,6)7)23(31-18(4)27)22-14-25(8,16(2)30-22)32-19(5)28/h15-16,20-23H,9-14H2,1-8H3/t15-,16?,20-,21+,22-,23+,25+/m0/s1 |
| InChIKey |
VBTJBMQTTRXMCU-SGLLJCKFSA-N |
| Molecular Weight |
454.604 g/mol |
| SMILES |
[C@]1(OC(C)[C@@](C1)(OC(=O)C)C)([C@@]([C@@]1([C@](C(C)(C)CCC1)(CC[C@@](OC(=O)C)(C)[H])[H])[H])(OC(=O)C)[H])[H] |
| SPLASH |
splash10-0f6x-0007900000-b1e893b40ebf79eef271 |
| Source of Spectrum |
B-44-433-0 |
| Synonyms |
(R)-[(2S,4R)-4-(acetyloxy)-4,5-dimethyloxolan-2-yl][(1S,2R)-2-[(3S)-3-(acetyloxy)butyl]-3,3-dimethylcyclohexyl]methyl acetate |
| Wiley ID |
1388780 |
