| SpectraBase Spectrum ID |
J1w4guKy9Co |
| Name |
Spiro[7H-benz[e]indene-7,2'-[1,3]dioxolane]-6-acetaldehyde, 3-(acetyloxy)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]- |
| Alternate Name(s) |
(1'S,2'S,5'S,6'S,9'S,10'R)-6',10'-dimethyl-10'-(2-oxoethyl)spiro[1,3-dioxolane-2,11'-tricyclo[7.4.0.0(2,6)]tridecane]-5'-yl acetate
17.beta.-acetoxy-5,5-ethylenedioxy2,5-seco-3,4-dinorandrostan-2-al |
| CAS Registry Number |
81917-22-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-14(23)26-18-5-4-16-15-6-9-21(24-12-13-25-21)20(3,10-11-22)17(15)7-8-19(16,18)2/h11,15-18H,4-10,12-13H2,1-3H3/t15-,16-,17-,18-,19-,20+/m0/s1 |
| InChIKey |
UNHMBVPBYACTEG-RPZLJYRGSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4([C@@]([C@]3(CC2)[H])(CC=O)C)OCCO4)[H])(CC[C@@]1(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-0002-9000000000-1b7cda2ff441471ccf1b |
| Source of Spectrum |
KC-1982-516-0 |
| Wiley ID |
1350903 |
![Spiro[7H-benz[e]indene-7,2'-[1,3]dioxolane]-6-acetaldehyde, 3-(acetyloxy)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-](/api/spectrum/J1w4guKy9Co/structure.png?h=300&w=458 "Spiro[7H-benz[e]indene-7,2'-[1,3]dioxolane]-6-acetaldehyde, 3-(acetyloxy)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-")
