RLS-2-35-1 53526-62-8

Details:

Identification and Related Records
【Name】
6-hydroxy-2-[2-(2-hydroxyethyl)-2-methyl-4-{1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl}cyclopentyl]-8a-methyl-3,5,6,7,8,8a-hexahydronaphthalen-1(2H)-one
【CAS Registry number】
53526-62-8
【Synonyms】
6-hydroxy-2-[2-(2-hydroxyethyl)-2-methyl-4-{1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl}cyclopentyl]-8a-methyl-3,5,6,7,8,8a-hexahydronaphthalen-1(2h)-one
PtAmC
Marine steroid PtAmC
AC1L5VI1
AC1Q6DG9
SECOPREGNENONE DERIV ATAMC
AR-1H1845
NSC135051
NSC-135051
RLS-2-35-1
6-hydroxy-2-[2-(2-hydroxyethyl)-2-methyl-4-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]cyclopentyl]-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
【Molecular Formula】
C30H50O3 (Products with the same molecular formula)
【Molecular Weight】
458.7162
【Inchi】
InChI=1/C30H50O3/c1-18(2)20(4)30(7)17-26(30)19(3)21-14-25(28(5,16-21)12-13-31)24-9-8-22-15-23(32)10-11-29(22,6)27(24)33/h8,18-21,23-26,31-32H,9-17H2,1-7H3
【Canonical SMILES】
CC(C)C(C)C1(CC1C(C)C2CC(C(C2)(C)CCO)C3CC=C4CC(CCC4(C3=O)C)O)C
【MOL File】
53526-62-8.mol
Chemical and Physical Properties
【Density】
1.05g/cm3
【Boiling Point】
563.9°C at 760 mmHg
【Refractive Index】
1.535
【Flash Point】
308.9°C
【Computed Properties】
Molecular Weight:458.7162 [g/mol]
Molecular Formula:C30H50O3
XLogP3-AA:6.7
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:7
Tautomer Count:2
Exact Mass:458.375995
MonoIsotopic Mass:458.375995
Topological Polar Surface Area:57.5
Heavy Atom Count:33
Formal Charge:0
Complexity:785
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1