| SpectraBase Spectrum ID |
9kgyxrxf1RV |
| Name |
(4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-3-nitro-5,6,7,8a,9,10-hexahydrophenanthren-2-ol |
| CAS Registry Number |
84104-89-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H29NO3 |
| InChI |
InChI=1S/C20H29NO3/c1-12(2)17-13-7-8-16-19(3,4)9-6-10-20(16,5)14(13)11-15(18(17)22)21(23)24/h11-12,16,22H,6-10H2,1-5H3/t16-,20+/m0/s1 |
| InChIKey |
ZVJWPUYUNZNFGL-OXJNMPFZSA-N |
| Molecular Weight |
331.456 g/mol |
| SMILES |
Oc1c(N(=O)=O)cc2c(CC[C@@]3([C@@]2(CCCC3(C)C)C)[H])c1C(C)C |
| SPLASH |
splash10-0159-6095000000-49052d61a05c221d3321 |
| Source of Spectrum |
B-43-694-11 |
| Synonyms |
(4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
12-Nitrototara-8,11,13-trien-13-ol |
| Wiley ID |
1328823 |
