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Laxiracemosin H

CAT: 0926-RZB87128-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-RZB87128-01Size:5 mg
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CAS Number
1241871-28-2
MDL Number
MFCD20275020
Smiles
CC1 (C2CC=C3C (C2 (CCC1=O) C) CCC4 (C3 (CCC4C5=CC (=O) NC5=O) C) C) C
Molecular Formula
C26H35NO3
Molecular Weight
409.6 g/mol
Controlled
No

Chemical Information

Laxiracemosin H

Laxiracemosin H is a terpene alkaloid with a tirucallane skeleton isolated from Dysoxylum lenticellatum. It has a role as a metabolite and a plant metabolite. It is a terpene alkaloid, a tetracyclic triterpenoid, a cyclic terpene ketone and a member of maleimides.

CAS Number1241871-28-2
PubChem CID46918651
IUPAC Name3-[(5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyrrole-2,5-dione
Molecular FormulaC26H35NO3
Molecular Weight409.6
XLogP4.5
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity927
SMILES
C[C@]12CCC(=O)C([C@@H]1CC=C3[C@@H]2CC[C@@]4([C@@]3(CC[C@H]4C5=CC(=O)NC5=O)C)C)(C)C
InChI
InChI=1S/C26H35NO3/c1-23(2)19-7-6-18-17(24(19,3)11-10-20(23)28)9-13-25(4)16(8-12-26(18,25)5)15-14-21(29)27-22(15)30/h6,14,16-17,19H,7-13H2,1-5H3,(H,27,29,30)/t16-,17-,19-,24+,25-,26+/m0/s1
InChIKey
MBOKEBRRTSUMOO-CVRFEKSNSA-N
Chemical Structure
2D Structure
2D structure of Laxiracemosin H
CAS: 1241871-28-2
CID: 46918651
Formula: C26H35NO3
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass409.26169398
Monoisotopic Mass409.26169398
Topological Polar Surface Area63.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity927
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

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CatalogName
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