Products for Research Use Only
RegisterLogin

Chamaejasmine

CAT: 0607-BA3231-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA3231-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
69618-96-8
Form
A solid
Molecular Formula
C30H22O10
Molecular Weight
542.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C, protect from light.

Chemical Information

Chamaejasmin

Chamaejasmin has been reported in Daphne aurantiaca, Stellera chamaejasme, and other organisms with data available.

CAS Number69618-96-8
PubChem CID155320
IUPAC Name(2R,3S)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC30H22O10
Molecular Weight542.5
XLogP4.6
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity853
SMILES
C1=CC(=CC=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26-,29+,30+/m1/s1
InChIKey
RNQBLQALVMHBKH-HHGOQMMWSA-N
Chemical Structure
2D Structure
2D structure of Chamaejasmin
CAS: 69618-96-8
CID: 155320
Formula: C30H22O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP34.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass542.12129689
Monoisotopic Mass542.12129689
Topological Polar Surface Area174 Ų
Heavy Atom Count40
Formal Charge0
Complexity853
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
UCA61896-01Chamaejasmine

Popular Products