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17,18-Dehydrovincamine

CAT: 0572-TRC-D230455-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230455-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32790-09-3
Synonyms
17,18-Dehydrovincamine; Methyl 14-hydroxy-17,18-didehydrovincane-14β-carboxylate; 17,18-Didehydrovincamine; Eburnamenine-14-carboxylic acid, 17,18-didehydro-14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β,16α)-; Vincamine, 17,18-didehydro- (8CI); (+)-cis-Dehydrovincamine; 14,15
Hazard Statement
No Data Available
Smiles
CC[C@]12C[C@](O)(C(=O)OC)n3c4[C@H]1N(CCc4c5ccccc35)CC=C2
Molecular Formula
C21 H24 N2 O3
Molecular Weight
352.427
InChI
InChI=1S/C21H24N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-8,10,18,25H,3,9,11-13H2,1-2H3/t18-,20+,21+/m1/s1
Shipping Conditions
Room Temperature

Chemical Information

17,18-Dehydrovincamine

14,15-dehydrovincamine is a monoterpenoid indole alkaloid.

CAS Number32790-09-3
PubChem CID13376719
IUPAC Namemethyl (15R,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene-17-carboxylate
Molecular FormulaC21H24N2O3
Molecular Weight352.4
XLogP2.8
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity637
SMILES
CC[C@]12C[C@@](N3C4=CC=CC=C4C5=C3[C@H]1N(CC5)CC=C2)(C(=O)OC)O
InChI
InChI=1S/C21H24N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-8,10,18,25H,3,9,11-13H2,1-2H3/t18-,20+,21+/m1/s1
InChIKey
BQGJXFQCMYJENQ-GIVPXCGWSA-N
Chemical Structure
2D Structure
2D structure of 17,18-Dehydrovincamine
CAS: 32790-09-3
CID: 13376719
Formula: C21H24N2O3
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass352.17869263
Monoisotopic Mass352.17869263
Topological Polar Surface Area54.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-V01467-0117,18-Dehydrovincamine
412003-0114-Dehydrovincamine
412004-0114-Dehydrovincamine-d3
MBS393822-01Linolenic-17,17,18,18,18-D5 Acid
MBS393823-01Linoleic-17,17,18,18,18-D5 Acid
sc-220652(±) 17,18-DiHETE
sc-22065317 (18) -EpETE
T37236-01(±) 17 (18) -DiHETE
MBS5798182(+/-)17(18)-DiHETE
HY-165675S(Z) -10-Oxooctadec-12-enoic-17,17,18,18,18-d5 acid

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