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Rauvoyunine C

CAT: 0931-TN4901Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4901Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1211543-01-9
Target
Others
Related Pathways
Others
Bioactivity
Rauvoyunine C is a natural product for research related to life sciences. The catalog number is TN4901 and the CAS number is 1211543-01-9.
Smiles
COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4ccc(OC)cc4N[C@]31O2
Molecular Formula
C32H36N2O9
Molecular Weight
592.645
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

methyl (1R,9S,11S,14E,15R,17S)-14-ethylidene-5-methoxy-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
CAS Number1211543-01-9
PubChem CID102004543
IUPAC Namemethyl (1R,9S,11S,14E,15R,17S)-14-ethylidene-5-methoxy-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Molecular FormulaC32H36N2O9
Molecular Weight592.6
XLogP3.3
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1150
SMILES
C/C=C\1/CN2[C@H]3C[C@H]1C([C@@]45[C@@]3(NC6=C4C=CC(=C6)OC)O[C@H]2C5)(COC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC
InChI
InChI=1S/C32H36N2O9/c1-7-17-15-34-25-13-21(17)30(29(36)41-6,16-42-28(35)18-10-23(38-3)27(40-5)24(11-18)39-4)31-14-26(34)43-32(25,31)33-22-12-19(37-2)8-9-20(22)31/h7-12,21,25-26,33H,13-16H2,1-6H3/b17-7-/t21-,25+,26+,30?,31+,32+/m1/s1
InChIKey
RZNFSKHVXGHGNJ-YBXGCWPOSA-N
Chemical Structure
2D Structure
2D structure of methyl (1R,9S,11S,14E,15R,17S)-14-ethylidene-5-methoxy-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
CAS: 1211543-01-9
CID: 102004543
Formula: C32H36N2O9
MW: 592.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass592.24208073
Monoisotopic Mass592.24208073
Topological Polar Surface Area114 Ų
Heavy Atom Count43
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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