| SpectraBase Spectrum ID |
9oO5Y2HaCGN |
| Name |
[3S-(3.beta.,3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-3-hydroxy-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid Methyl ester |
| Alternate Name(s) |
Methyl (3R,3aR,5aR,7aR,11aR,11bS)-3-hydroxy-8,8,11a-trimethyl-1,3,3a,6,7,7a,8,9,10,11,11a,11b-dodecahydro-2H-cyclobuta[j]phenanthrene-3-carboxylate |
| CAS Registry Number |
138644-35-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-18(2)9-5-10-19(3)14(18)6-11-20-12-7-16(20)21(23,17(22)24-4)13-8-15(19)20/h7,12,14-16,23H,5-6,8-11,13H2,1-4H3/t14-,15+,16-,19-,20-,21-/m1/s1 |
| InChIKey |
CSILRVZTERMEJQ-OASUUKCRSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
O[C@]1([C@]2([C@@]3([C@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)(CC1)[H])C=C2)[H])C(=O)OC |
| SPLASH |
splash10-00l6-9010000000-863f6de75e22b0359abc |
| Source of Spectrum |
J-57-6867-11 |
| Wiley ID |
1329845 |
![[3S-(3.beta.,3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-3-hydroxy-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid Methyl ester](/api/spectrum/9oO5Y2HaCGN/structure.png?h=300&w=458 "[3S-(3.beta.,3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-3-hydroxy-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid Methyl ester")
