Fulvine

CAT: 0926-GAA02987-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GAA02987-02Size:10 mg

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CAS Number

6029-87-4

Smiles

CC1C (=O) OCC2=CCN3C2C (CC3) OC (=O) C (C1 (C) O) C

Molecular Formula

C16H23NO5

Molecular Weight

309.36 g/mol

Controlled

Chemical Information

Isocromadurine

Fulvine is a member of pyrrolizines.

CAS Number	6029-87-4
PubChem CID	442726
IUPAC Name	(1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Molecular Formula	C16H23NO5
Molecular Weight	309.36
XLogP	0.2
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	531

SMILES

C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C

InChI

InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16+/m1/s1

InChIKey

PSUFRPOAICRSTC-ZLGRWFNRSA-N

Chemical Structure

2D Structure

CAS: 6029-87-4

CID: 442726

Formula: C16H23NO5

MW: 309.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.36
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	309.15762283
Monoisotopic Mass	309.15762283
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	531
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FF171062-01	Fulvic acid

Catalog	Name
MBS5800878	Fulvine