Products for Research Use Only
RegisterLogin

Suffruticosol B

CAT: 1410-M39244-01Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M39244-01Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Suffruticosol B
CAS Number
220936-87-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
680.7
Molecular Formula
C42H32O9
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Suffruticosol B

Suffruticosol B has been reported in Paeonia suffruticosa with data available.

CAS Number220936-87-8
PubChem CID10652146
IUPAC Name(1R,2R,3R,9S,10R,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
Molecular FormulaC42H32O9
Molecular Weight680.7
XLogP6.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count51
Formal Charge0
Complexity1180
SMILES
C1=CC(=CC=C1[C@@H]2[C@@H]3[C@H](C4=C(C=C(C=C4O)O)[C@H]5[C@H](OC6=C5C3=C([C@H]2C7=CC(=CC(=C7)O)O)C(=C6)O)C8=CC=C(C=C8)O)C9=CC=C(C=C9)O)O
InChI
InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37+,40+,42+/m0/s1
InChIKey
MBGBQHRAJPLAPN-BTJJUUGGSA-N
Chemical Structure
2D Structure
2D structure of Suffruticosol B
CAS: 220936-87-8
CID: 10652146
Formula: C42H32O9
MW: 680.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight680.7
XLogP36.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass680.20463259
Monoisotopic Mass680.20463259
Topological Polar Surface Area171 Ų
Heavy Atom Count51
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M39243-01Suffruticosol A
M39245-01Suffruticosol C
M21468-01Praeruptorin B (b)
M39680Tulathromycin B
M39539Mirtazapine b
M39343-01Morin b
M39313Formononetin b
M39281-01Bruceoside B
M39224-01Yadanzioside B
M39099Tanshinol B

Alternative Products

CatalogName
HY-N11872Suffruticosol A
T126135-01Suffruticosol D
GTR19269274Suffruticosol B
GTR19269273Suffruticosol C

Popular Products