6α-Hydroxyhispanone

CAT: 0926-WYA81448-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-WYA81448-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

596814-48-1

Smiles

CC1=C (C2 (CCCC (C2C (C1=O) O) (C) C) C) CCC3=COC=C3

Molecular Formula

C20H28O3

Molecular Weight

316.4 g/mol

Controlled

Chemical Information

6alpha-Hydroxyhispanone

CAS Number	596814-48-1
PubChem CID	637263
IUPAC Name	(1R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
Molecular Formula	C20H28O3
Molecular Weight	316.4
XLogP	4.4
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	519

SMILES

CC1=C([C@]2(CCCC([C@@H]2[C@H](C1=O)O)(C)C)C)CCC3=COC=C3

InChI

InChI=1S/C20H28O3/c1-13-15(7-6-14-8-11-23-12-14)20(4)10-5-9-19(2,3)18(20)17(22)16(13)21/h8,11-12,17-18,22H,5-7,9-10H2,1-4H3/t17-,18-,20+/m0/s1

InChIKey

WTPSYXFTGTUODI-CMKODMSKSA-N

Chemical Structure

2D Structure

CAS: 596814-48-1

CID: 637263

Formula: C20H28O3

MW: 316.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.4
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	316.20384475
Monoisotopic Mass	316.20384475
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA76464-01	6,6,6-Trifluorohexanoic acid
FB183788	6,6'-Bieckol
NA16207	6,6'-Azopurine
FD32493-01	6,6'-Dibromoindigo
FBA34370-01	6,6′-Dihydroxythiobinupharidine
KLC36459-01	6,6,6-Trifluorohexan-2-ol
QCA61147-01	6,6,6-Trifluorohexan-1-ol
UXB76543-01	6,6,6-Trifluorohexan-3-one
BKC30511-01	6,6,6-Trifluorohexan-2-one
DXC59545-01	6,6,6-Trifluorohexan-2-amine hydrochloride

Catalog	Name
HY-N9167	6α-Hydroxyhispanone
HY-N9081	6β-Hydroxyhispanone
MBS5761693	6alpha-Hydroxyhispanone
TN3203	6beta-Hydroxyhispanone
sc-257002A	6,6,6-Trifluoronorleucine
GC4378-1mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
GC3568-5mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
BICL2357-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
H211306	Hexanenitrile-6,6,6-d3