| SpectraBase Compound ID | Glyzmm10LWO |
|---|---|
| InChI | InChI=1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3 |
| InChIKey | SPJCRMJCFSJKDE-UHFFFAOYSA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C39H59Cl2NO2 |
| Exact Mass | 643.392286 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F8FskfaG8Vg |
|---|---|
| Name | 5-Cholesten-3-.beta.-ol 3-(p-(bis(2-chloroethyl)amino)phenyl)acetate |
| CAS Registry Number | 3546-10-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H59Cl2NO2 |
| InChI | InChI=1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3 |
| InChIKey | SPJCRMJCFSJKDE-UHFFFAOYSA-N |
| Molecular Weight | 644.812 g/mol |
| SMILES | CC12C3C(C4C(C)(C(C(CCCC(C)C)C)CC4)CC3)CC=C1CC(OC(Cc1ccc(N(CCCl)CCCl)cc1)=O)CC2 |
| SPLASH | splash10-004i-2970000000-4022cc00a7a90cd9fe99 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | Acetic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, cholesteryl ester Cholest-5-en-3-ol, (3-beta)-, 4-(bis(2-chloroethyl)amino)benzeneacetate Cholesteryl (p-(bis(2-chloroethyl)amino)phenyl)acetate Fenesterin Fenestrin N-(p-(Bis(2-chloroethyl)amino)phenyl)acetic acid chlestorol ester Phenesterin Phenesterine Phenestrin [p-[Bis(2-chloroethyl)amino]phenyl]acetic acid cholesterol ester 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate CCRIS 499 FDA 1553 HSDB 7076 NCI-C01558 NSC 104469 |
| Wiley ID | 1412793 |