| SpectraBase Spectrum ID |
lTJf8w0QMi |
| Name |
5H-Cyclopenta[5,6]naphtho[2,1-e]-1,4-dioxocin-9-ol, 2,3,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-tetradecahydro-6a,8a-dimethyl-, acetate, [6aR-(6a.alpha.,6b.beta.,8a.alpha.,9.alpha.,11a.beta.,11b.alpha.)]- |
| CAS Registry Number |
98734-36-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-14(22)25-19-7-5-16-15-4-6-18-21(3,10-11-23-12-13-24-18)17(15)8-9-20(16,19)2/h6,15-17,19H,4-5,7-13H2,1-3H3/t15-,16-,17-,19-,20-,21+/m0/s1 |
| InChIKey |
RCGXYRAAEJIDLW-RZCQQDKOSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCOCCO4)C)[H])(CC[C@@]1(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-0002-0009000000-2d6adf6675e587504adb |
| Source of Spectrum |
KC-1985-1202-4 |
| Synonyms |
(6aR,6bS,8aS,9S,11aS,11bS)-6a,8a-dimethyl-2,3,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-tetradecahydro-5H-cyclopenta[5,6]naphtho[2,1-e][1,4]dioxocin-9-yl acetate
2,5-Dioxa-8,12-dimethyl-13-acetoxytetracyclo[6.11.0.0(9,17).0(12,16)]nonadecane |
| Wiley ID |
1340853 |
![5H-Cyclopenta[5,6]naphtho[2,1-e]-1,4-dioxocin-9-ol, 2,3,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-tetradecahydro-6a,8a-dimethyl-, acetate, [6aR-(6a.alpha.,6b.beta.,8a.alpha.,9.alpha.,11a.beta.,11b.alpha.)]-](/api/spectrum/lTJf8w0QMi/structure.png?h=300&w=458 "5H-Cyclopenta[5,6]naphtho[2,1-e]-1,4-dioxocin-9-ol, 2,3,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-tetradecahydro-6a,8a-dimethyl-, acetate, [6aR-(6a.alpha.,6b.beta.,8a.alpha.,9.alpha.,11a.beta.,11b.alpha.)]-")
