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Schweinine

CAT: 0931-T34580-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34580-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133084-04-5
Target
Others
Related Pathways
Others
Bioactivity
Schweinine is a macrocylic alkaloid isolated from the whole plant of Schweinfurthia papilionacea.
Smiles
[H][C@]12CC(=O)NCCCN(CCCCNCCCN1)C(=O)[C@@H](Cc1ccc(O)cc1)c1cc2ccc1OC(C)=O
Molecular Formula
C30H40N4O5
Molecular Weight
536.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Schweinine

Schweinine has been reported in Schweinfurthia papilionacea with data available.

CAS Number133084-04-5
PubChem CID164334
IUPAC Name[(11R,17S)-17-[(4-hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate
Molecular FormulaC30H40N4O5
Molecular Weight536.7
XLogP1.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity802
SMILES
CC(=O)OC1=C2C=C(C=C1)[C@H]3CC(=O)NCCCN(CCCCNCCCN3)C(=O)[C@H]2CC4=CC=C(C=C4)O
InChI
InChI=1S/C30H40N4O5/c1-21(35)39-28-11-8-23-19-25(28)26(18-22-6-9-24(36)10-7-22)30(38)34-16-3-2-12-31-13-4-14-32-27(23)20-29(37)33-15-5-17-34/h6-11,19,26-27,31-32,36H,2-5,12-18,20H2,1H3,(H,33,37)/t26-,27+/m0/s1
InChIKey
LSZMIIMBHCIRKT-RRPNLBNLSA-N
Chemical Structure
2D Structure
2D structure of Schweinine
CAS: 133084-04-5
CID: 164334
Formula: C30H40N4O5
MW: 536.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.7
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass536.29987039
Monoisotopic Mass536.29987039
Topological Polar Surface Area120 Ų
Heavy Atom Count39
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784083Schweinine

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