| SpectraBase Spectrum ID |
4aMPMFTpSg9 |
| Name |
(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-hydroxyethoxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol |
| Alternate Name(s) |
(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-hydroxyethyloximino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-hydroxyethyloxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H41NO4 |
| InChI |
InChI=1S/C25H41NO4/c1-17(16-26-30-13-12-27)14-19-6-11-25(29)22-5-4-18-15-20(28)7-9-23(18,2)21(22)8-10-24(19,25)3/h14,16,18-22,27-29H,4-13,15H2,1-3H3/b17-14+,26-16+/t18-,19-,20+,21+,22-,23+,24-,25+/m1/s1 |
| InChIKey |
BJUOJETWDCUQSI-OUESQWFMSA-N |
| Molecular Weight |
419.606 g/mol |
| SMILES |
OCCO\N=C\C(=C\[C@@]1([C@@]2([C@](CC1)([C@@]1(CC[C@@]3(C[C@](CC[C@@]3([C@]1(CC2)[H])C)(O)[H])[H])[H])O)C)[H])C |
| SPLASH |
splash10-0006-9000000000-4ccba3e7a07555ed5417 |
| Source of Spectrum |
F2-43-2343-22 |
| Wiley ID |
1600732 |
![(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-hydroxyethoxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol](/api/spectrum/4aMPMFTpSg9/structure.png?h=300&w=458 "(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-hydroxyethoxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol")
