Salvifolin

CAT: 0926-BFA72498-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BFA72498-02Size:50 mg

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CAS Number

126724-98-9

Smiles

CCOC (=O) C1=NC=CC (=C1) C (C) (C) C

Molecular Formula

C22H22O7

Molecular Weight

398.4 g/mol

Controlled

Chemical Information

Salvipholin

bicyclic diterpenoid of the clerodane series

CAS Number	126724-98-9
PubChem CID	195491
IUPAC Name	[5'-(furan-3-yl)-8-methyl-3,9-dioxospiro[1,6a,8,10-tetrahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2'-yl] acetate
Molecular Formula	C22H22O7
Molecular Weight	398.4
XLogP	1.9
Topological Polar Surface Area	92
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	829

SMILES

CC1C(=O)CC23COC(=O)C2=CC=CC3C14CC(OC4OC(=O)C)C5=COC=C5

InChI

InChI=1S/C22H22O7/c1-12-16(24)8-21-11-27-19(25)15(21)4-3-5-18(21)22(12)9-17(14-6-7-26-10-14)29-20(22)28-13(2)23/h3-7,10,12,17-18,20H,8-9,11H2,1-2H3

InChIKey

AVKKLSULAQTUAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126724-98-9

CID: 195491

Formula: C22H22O7

MW: 398.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	398.13655304
Monoisotopic Mass	398.13655304
Topological Polar Surface Area	92 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	829
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XS139259-01	Salvinorin A
XS139260-01	Salvinorin B
80-1267	Salvinorin-HRP
80-1156	Salvinorin-HRP
20-1596	Salvinorin A antibody
80-1239	Demethyl Salvinorin-HRP
20-1429	Demethyl Salvinorin antibody
20-1490	Epi Demethyl Salvinorin antibody