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Vindorosine

CAT: 1299-RM-V485001-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V485001-04Size:100 mg
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CAS Number
5231-60-7
Synonyms
Methyl (3aR,3a1R,4R,5S,5aR,10bR) -4-acetoxy-3a-ethyl-5-hydroxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate
Molecular Formula
C24H30N2O5
Molecular Weight
426.51
Target Alternative Name
Vindorosine
Product Name Synonym
Methyl (3aR,3a1R,4R,5S,5aR,10bR) -4-acetoxy-3a-ethyl-5-hydroxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

Chemical Information

Vindorosine

1H-Indolizino(8,1-cd)carbazole-5-carboxylic acid, 3a-ethyl-3a,4,5,5a,6,11,12,13a-octahydro-4,5-dihydroxy-6-methyl-, methyl ester, 4-acetate has been reported in Catharanthus roseus and Catharanthus ovalis with data available.

CAS Number5231-60-7
PubChem CID11618751
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular FormulaC24H30N2O5
Molecular Weight426.5
XLogP1.3
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity816
SMILES
CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C24H30N2O5/c1-5-22-11-8-13-26-14-12-23(18(22)26)16-9-6-7-10-17(16)25(3)19(23)24(29,21(28)30-4)20(22)31-15(2)27/h6-11,18-20,29H,5,12-14H2,1-4H3/t18-,19+,20+,22+,23+,24-/m0/s1
InChIKey
SASWULSUPROHRT-MCIGMTSASA-N
Chemical Structure
2D Structure
2D structure of Vindorosine
CAS: 5231-60-7
CID: 11618751
Formula: C24H30N2O5
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass426.21547206
Monoisotopic Mass426.21547206
Topological Polar Surface Area79.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity816
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

Alternative Products

CatalogName
582714Vindorosine

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