| SpectraBase Compound ID | 6Kl7nvk39Fm |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | FDKJNVMJOZNFQP-XCFZJUKMSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fk0e0hRvSUF |
|---|---|
| Name | (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester |
| CAS Registry Number | 31823-53-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | FDKJNVMJOZNFQP-XCFZJUKMSA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
| SPLASH | splash10-0a4j-0920000000-ae89e738ac0939ff01cb |
| Source of Spectrum | W6-34853-30683-0 |
| Synonyms | (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 59486 |