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Germine

CAT: 0013-GTR19228949-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228949-01Size:1 mg
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Description
Germine
CAS Number
508-65-6
Smiles
[H][C@@]12C[C@]34O[C@@]5 (O) [C@@H] (O) CC[C@@]3 (C) [C@]5 ([H]) C[C@@H] (O) [C@@]4 ([H]) [C@]1 (O) [C@@H] (O) [C@H] (O) [C@@]1 ([H]) [C@@]2 ([H]) CN2C[C@@H] (C) CC[C@@]2 ([H]) [C@@]1 (C) O
Molecular Formula
C27H43NO8
Molecular Weight
509.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Germine

Germine is an alkaloid.

CAS Number508-65-6
PubChem CID442976
IUPAC Name(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,22,23-heptol
Molecular FormulaC27H43NO8
Molecular Weight509.6
XLogP-1
Topological Polar Surface Area154
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count36
Formal Charge0
Complexity968
SMILES
C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]([C@@H]3O)O)O)[C@@H](C[C@H]7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)O)(C)O
InChI
InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1
InChIKey
RNPABQVCNAUEIY-GUQYYFCISA-N
Chemical Structure
2D Structure
2D structure of Germine
CAS: 508-65-6
CID: 442976
Formula: C27H43NO8
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP3-1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass509.29886733
Monoisotopic Mass509.29886733
Topological Polar Surface Area154 Ų
Heavy Atom Count36
Formal Charge0
Complexity968
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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