| SpectraBase Spectrum ID |
BbLZGHyW9de |
| Name |
(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethoxyimino)-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-aminoethyloximino)-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-azanylethoxyimino)-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 |
C25H42N2O3 |
| InChI |
InChI=1S/C25H42N2O3/c1-17(16-27-30-13-12-26)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/h14,16,18-22,28-29H,4-13,15,26H2,1-3H3/b17-14+,27-16+/t18-,19-,20+,21+,22-,23+,24-,25+/m1/s1 |
| InChIKey |
XSFLNQNQRJJZBO-AFFLTQSNSA-N |
| Molecular Weight |
418.622 g/mol |
| SMILES |
NCCO\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 |
splash10-0udi-0090200000-1038b09d51bc3ee38b28 |
| Source of Spectrum |
F2-43-2343-24 |
| Wiley ID |
1600730 |
![(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethoxyimino)-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/BbLZGHyW9de/structure.png?h=300&w=458 "(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethoxyimino)-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")
