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Lythridine

CAT: 0926-QAA29977-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA29977-02Size:10 mg
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CAS Number
15299-77-1
Smiles
COC1=C (C=C2C (=C1) C3CC (CC4N3CCCC4) OC (=O) CC (C5=CC2=C (C=C5) O) O) OC
Molecular Formula
C26H31NO6
Molecular Weight
453.5 g/mol
Controlled
No

Chemical Information

Lythridine

13,14-Dihydro-2',14beta-dihydroxy-4'',5''-dimethoxylythran-12-one has been reported in Heimia myrtifolia, Heimia salicifolia, and Heimia apetala with data available.

CAS Number15299-77-1
PubChem CID137699649
IUPAC Name9,13-dihydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
Molecular FormulaC26H31NO6
Molecular Weight453.5
XLogP3.2
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity690
SMILES
COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CC(C5=CC2=C(C=C5)O)O)OC
InChI
InChI=1S/C26H31NO6/c1-31-24-12-18-19(13-25(24)32-2)21-11-17(10-16-5-3-4-8-27(16)21)33-26(30)14-23(29)15-6-7-22(28)20(18)9-15/h6-7,9,12-13,16-17,21,23,28-29H,3-5,8,10-11,14H2,1-2H3
InChIKey
AZYBQXPITOLDBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lythridine
CAS: 15299-77-1
CID: 137699649
Formula: C26H31NO6
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass453.21513771
Monoisotopic Mass453.21513771
Topological Polar Surface Area88.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-121575-01Lythridine

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