| SpectraBase Spectrum ID |
F7LEL6351S2 |
| Name |
(1S,4aS,10aR)-6-benzoyloxy-7-ethyl-5-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester |
| Alternate Name(s) |
Methyl (1S,4aS,10aR)-6-benzoyloxy-7-ethyl-5-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Methyl (1S,4aS,10aR)-7-ethyl-1,4a-dimethyl-5-oxidanyl-6-(phenylcarbonyloxy)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| CAS Registry Number |
128736-98-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32O5 |
| InChI |
InChI=1S/C27H32O5/c1-5-17-16-19-12-13-20-26(2,14-9-15-27(20,3)25(30)31-4)21(19)22(28)23(17)32-24(29)18-10-7-6-8-11-18/h6-8,10-11,16,20,28H,5,9,12-15H2,1-4H3/t20-,26+,27+/m1/s1 |
| InChIKey |
MZQDHZGMWCHIDV-PHXCCWLDSA-N |
| Molecular Weight |
436.548 g/mol |
| SMILES |
Oc1c2[C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CCc2cc(CC)c1OC(=O)c1ccccc1)[H])C |
| SPLASH |
splash10-0a4i-0900000000-6d7ebe409b54158b80aa |
| Source of Spectrum |
B-43-501-36 |
| Wiley ID |
1383636 |
