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Salvinorin B 10mg

CAT: 0628-A22257-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22257-10Size:10 mg
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CAS Number
92545-30-7

Chemical Information

Salvinorin B

Salvinorin B is a diterpene lactone.

CAS Number92545-30-7
PubChem CID11440685
IUPAC Namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular FormulaC21H26O7
Molecular Weight390.4
XLogP1.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity690
SMILES
C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)O)C)C4=COC=C4
InChI
InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
InChIKey
BLTMVAIOAAGYAR-CEFSSPBYSA-N
Chemical Structure
2D Structure
2D structure of Salvinorin B
CAS: 92545-30-7
CID: 11440685
Formula: C21H26O7
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass390.16785316
Monoisotopic Mass390.16785316
Topological Polar Surface Area103 Ų
Heavy Atom Count28
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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