Decumbensine

CAT: 1299-RM-D053000-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D053000-02Size:25 mg

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CAS Number

6883-44-9

Synonyms

(6R,8S) -6- ((S) -6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl) -6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-ol

Molecular Formula

C20H19NO6

Molecular Weight

369.37

Target Alternative Name

Decumbensine

Product Name Synonym

(6R,8S) -6- ((S) -6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl) -6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-8-ol

Chemical Information

Egenine

(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol has been reported in Corydalis decumbens, Dehaasia incrassata, and Fumaria vaillantii with data available.

CAS Number	6883-44-9
PubChem CID	189685
IUPAC Name	(6R,8S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
Molecular Formula	C20H19NO6
Molecular Weight	369.4
XLogP	1.9
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	27
Formal Charge	0
Complexity	577

SMILES

CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C([C@H](O4)O)C6=C(C=C5)OCO6)OCO3

InChI

InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3/t17-,18+,20-/m0/s1

InChIKey

YMHFBUOKLSWOQF-NSHGMRRFSA-N

Chemical Structure

2D Structure

CAS: 6883-44-9

CID: 189685

Formula: C20H19NO6

MW: 369.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	369.12123733
Monoisotopic Mass	369.12123733
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	577
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Decumbensine

Chemical Information

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