| SpectraBase Spectrum ID |
BEBUnRSNjEl |
| Name |
(E,E)-21-[(Guanidinoamino)methyl-5.beta.-pregn-20-ene-3.beta.,14.beta.-diol |
| Alternate Name(s) |
2-[(E)-[(E)-3-[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]prop-2-enylidene]amino]guanidine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H38N4O2 |
| InChI |
InChI=1S/C23H38N4O2/c1-21-10-8-17(28)14-16(21)5-6-19-18(21)9-11-22(2)15(7-12-23(19,22)29)4-3-13-26-27-20(24)25/h3-4,13,15-19,28-29H,5-12,14H2,1-2H3,(H4,24,25,27)/b4-3+,26-13+/t15-,16+,17-,18?,19?,21-,22+,23-/m0/s1 |
| InChIKey |
DPQKJENVAJYKEE-PXCMBPRESA-N |
| Molecular Weight |
402.583 g/mol |
| SMILES |
O[C@]1(CC[C@@]2(C3C([C@@]4([C@@]([C@@](\C=C\C=N\N=C(N)N)(CC4)[H])(CC3)C)O)CC[C@@]2(C1)[H])C)[H] |
| SPLASH |
splash10-03di-0910000000-baf2d1530eb59de49cae |
| Source of Spectrum |
F2-40-3487-5 |
| Wiley ID |
1599380 |
