| SpectraBase Spectrum ID |
2EFTjzrdbPC |
| Name |
4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(R)-2-Acetyl-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether |
| Alternate Name(s) |
1-[(4aR,5aS,6aS,10aS,10bR,11R,11aS)-11-(benzyloxy)-2,2,10,10-tetramethyl-4,4a,5a,6a,7,10,10a,10b,11,11a-decahydro[1,3]dioxino[4',5':5,6]pyrano[2,3-b][1]benzofuran-8-yl]ethanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34O6 |
| InChI |
InChI=1S/C26H34O6/c1-15(27)17-11-18-21(25(2,3)12-17)20-23(28-13-16-9-7-6-8-10-16)22-19(31-24(20)30-18)14-29-26(4,5)32-22/h6-10,12,18-24H,11,13-14H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-/m0/s1 |
| InChIKey |
BJPKDAYBBCKNHG-OXBTUOTGSA-N |
| Molecular Weight |
442.552 g/mol |
| SMILES |
[C@@]12([C@@](O[C@@]3([C@@]2(C(C=C(C3)C(=O)C)(C)C)[H])[H])(O[C@]2([C@]([C@@]1(OCc1ccccc1)[H])(OC(OC2)(C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-0006-9000000000-1ef56befc85ebae8cd15 |
| Source of Spectrum |
F-53-8398-6 |
| Wiley ID |
802636 |
![4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(R)-2-Acetyl-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether](/api/spectrum/2EFTjzrdbPC/structure.png?h=300&w=458 "4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(R)-2-Acetyl-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether")
