8-o-Acetyltorilolone

CAT: 0926-VAA48221-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-VAA48221-01Size:1 mg

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CAS Number

20482-21-7

MDL Number

MFCD28100338

Molecular Formula

C17H26O4

Molecular Weight

294.4 g/mol

Controlled

Chemical Information

8-O-Acetyltorilolone

CAS Number	20482-21-7
PubChem CID	100932311
IUPAC Name	[(5S,6R,8S,8aR)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] acetate
Molecular Formula	C17H26O4
Molecular Weight	294.4
XLogP	1.6
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	489

SMILES

C[C@H]1C[C@H]([C@H](CC2=C(C(=O)C[C@H]12)C)C(C)(C)O)OC(=O)C

InChI

InChI=1S/C17H26O4/c1-9-6-16(21-11(3)18)14(17(4,5)20)7-13-10(2)15(19)8-12(9)13/h9,12,14,16,20H,6-8H2,1-5H3/t9-,12+,14-,16+/m0/s1

InChIKey

WGWWLRBCCJXTGQ-UODBANLJSA-N

Chemical Structure

2D Structure

CAS: 20482-21-7

CID: 100932311

Formula: C17H26O4

MW: 294.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.4
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	294.18310931
Monoisotopic Mass	294.18310931
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	489
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
FE73896-01	8-O-ethylyunaconitine
NAA24128-01	Chrysophanol 8-O-glucoside
EFA39321-01	Physcion 8-o-rutinoside
SCA60094-01	Hydrangenol 8-o-glucoside
MT15652-01	Torachrysone 8-O-glucoside
IFA64537-01	8-o-4-Hydroxycinnamoylharpagide
RDA21969-01	O-[8- (Aminooxy) octyl]hydroxylamine
NB145743-01	8-Bromo-2'-O-methyladenosine
IJB12738-01	Nortrachelogenin-8'-o-beta-glucoside
XDA16944-01	6-Epi-8-o-acetylharpagide

Catalog	Name
HY-N2781	8-O-Acetyltorilolone
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GTR19227713-01	4-O-8':4'-O-8''-Triferulic acid
SM5072-25mg	8-O-Acetylharpagide
TBZ2815	8-O-Ethylyunaconitine
BUP00204-01	8-?O-?Acetylharpagide
T6S2025-01	8-O-Acetylharpagide
TRC-H942950-100MG	8-Hydroxy Efavirenz 8-O-Sulfate
TN8407-01	2β-Methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate