Also known as:
159325-45-8, And017, (2s,3as,3br,5as,6as,7ar,8as,8bs,10as)-8a,10a-dimethyl-2-(pyrrolidin-1-yl)hexadecahydro-1h-cyclopenta[7,8]phenanthro[2,3-b]oxiren-1-one, (1s,2s,4r,6s,8s,11r,12s,14s,16s)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0(2),.0,.0(1)(2),(1)]octadecan-15-one
Molecular Formula
C23H35NO2
Molecular Weight
357.5 g/mol
InChI Key
ZZMJTNMGPPBIOY-SLGODVNHSA-N
2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one
2.1.2 InChI
InChI=1S/C23H35NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-20H,3-13H2,1-2H3/t14?,15?,16?,17?,18?,19?,20?,22-,23-/m0/s1
2.1.3 InChI Key
ZZMJTNMGPPBIOY-SLGODVNHSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms
1. 159325-45-8
2. And017
3. (2s,3as,3br,5as,6as,7ar,8as,8bs,10as)-8a,10a-dimethyl-2-(pyrrolidin-1-yl)hexadecahydro-1h-cyclopenta[7,8]phenanthro[2,3-b]oxiren-1-one
4. (1s,2s,4r,6s,8s,11r,12s,14s,16s)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0(2),.0,.0(1)(2),(1)]octadecan-15-one
2.3 Create Date
3 Chemical and Physical Properties
| Molecular Weight |
357.5 g/mol |
| Molecular Formula |
C23H35NO2
|
| XLogP3 | 4.5 |
|---|
| Hydrogen Bond Donor Count | 0 |
|---|
| Hydrogen Bond Acceptor Count | 3 |
|---|
| Rotatable Bond Count | 1 |
|---|
| Exact Mass | g/mol |
|---|
| Monoisotopic Mass | g/mol |
|---|
| Topological Polar Surface Area | 32.8 |
|---|
| Heavy Atom Count | 26 |
|---|
| Formal Charge | 0 |
|---|
| Complexity | 628 |
|---|
| Isotope Atom Count | 0 |
|---|
| Defined Atom Stereocenter Count | 2 |
|---|
| Undefined Atom Stereocenter Count | 7 |
|---|
| Defined Bond Stereocenter Count | 0 |
|---|
| Undefined Bond Stereocenter Count | 0 |
|---|
| Covalently Bonded Unit Count | 1 |
|---|
