Belsoline

CAT: 0926-FB73897-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FB73897-04Size:100 mg

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CAS Number

509-18-2

MDL Number

MFCD00274545

Smiles

CCN1C[C@@]2 (CC[C@@H] ([C@@]34[C@@H]2[C@@H] ([C@@] (C31) ([C@]5 (C[C@@H] ([C@H]6C[C@@H]4[C@@H]5[C@H]6OC) OC) O) O) OC) O) COC

Molecular Formula

C25H41NO7

Molecular Weight

467.6 g/mol

Controlled

Chemical Information

Delsoline

diterpenoid alkaloid isolated from the roots of Aconitum finetianum

CAS Number	509-18-2
PubChem CID	44655937
IUPAC Name	(1S,4S,5R,6S,8R,9S,10S,13S,16S,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
Molecular Formula	C25H41NO7
Molecular Weight	467.6
XLogP	-0.6
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	814

SMILES

CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@]([C@H](C23)OC)([C@]5(C[C@@H]([C@H]6CC4C5[C@H]6OC)OC)O)O)O)COC

InChI

InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17?,18+,19?,20+,21+,22+,23-,24+,25-/m1/s1

InChIKey

JVBLTQQBEQQLEV-LPHVGPHASA-N

Chemical Structure

2D Structure

CAS: 509-18-2

CID: 44655937

Formula: C25H41NO7

MW: 467.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	467.6
XLogP3	-0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	467.28830265
Monoisotopic Mass	467.28830265
Topological Polar Surface Area	101 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	814
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Belsoline

Chemical Information

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