O-Acetylcyclocalopin A

CAT: 0926-LUA43093-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-LUA43093-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

486430-93-7

MDL Number

MFCD20260764

Smiles

CC1COC (=O) C2C1C3 (CC=C (C (=O) C3OC (=O) C) C) C (O2) (C) O

Molecular Formula

C17H22O7

Molecular Weight

338.4 g/mol

Controlled

Chemical Information

O-Acetylcyclocalopin A

O-Acetylcyclocalopin A is a furopyran.

CAS Number	486430-93-7
PubChem CID	11002243
IUPAC Name	[(1'S,2R,3S,3aR,4S,7aS)-2-hydroxy-2,3',4-trimethyl-2',7-dioxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,6'-cyclohex-3-ene]-1'-yl] acetate
Molecular Formula	C17H22O7
Molecular Weight	338.4
XLogP	1.1
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	639

SMILES

C[C@@H]1COC(=O)[C@@H]2[C@H]1[C@]3(CC=C(C(=O)[C@H]3OC(=O)C)C)[C@](O2)(C)O

InChI

InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3/t9-,11+,13+,14-,16-,17+/m1/s1

InChIKey

RFOIMKJJHPMORA-CNORLRFSSA-N

Chemical Structure

2D Structure

CAS: 486430-93-7

CID: 11002243

Formula: C17H22O7

MW: 338.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.4
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	338.13655304
Monoisotopic Mass	338.13655304
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	639
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
PS00013-01	Stearyl-AGYLLGKLL (O) (O) LAAAAL (O) (O) LL-NH2
FB74449-01	6-O-Benzoylgomisin O
FO76077-01	O, O'-Diethyl dithiophosphate
DAA70089	O, o-Dimethyl malathion
BAA18609-01	O, O, S-Triethyl phosphorothioate
LBC69467-01	1,6-O, o-Diacetylbritannilactone
FD21794-01	O, O-Diethyl dithiophosphate ammonium
FT184110-01	O, O, S-Triethyl dithiophosphate
YAA75487-01	Sodium O, O-dimethyl phosphorothioate
DGA43778-01	O-Desmorpholinopropyl-o-methyl-gefitinib

Catalog	Name
MBS5787272	O-Acetylcyclocalopin A
290779	O, O, O-Triethyl Phosphorothioate
sc-473252	O, O', O''-Triethyl Phosphorothioate
TRC-T777010-1G	O,O',O''-Triethyl Phosphorothioate
OR95833-01	O, O, O-Trimethyl phosphorothioate
CS-T-86584	O, o-TEPP
B10870-01	O, o'-Biphenol
sc-493087	O, O-Dimethylamidothiophosphate
300705	O, O-diacetyldaurisoline
290219-01	4-o-Tolyl-o, o'-azotoluene