Gerontoxanthone C

CAT: 0926-WEA82554-02Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-WEA82554-02Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

121825-54-5

Smiles

CC1C (C2=C (O1) C (=C3C (=C2O) C (=O) C4=C (O3) C (=C (C=C4) O) O) CC=C (C) C) (C) C

Molecular Formula

C23H24O6

Molecular Weight

396.4 g/mol

Controlled

Chemical Information

Gerontoxanthone C

Gerontoxanthone C has been reported in Maclura tricuspidata with data available.

CAS Number	121825-54-5
PubChem CID	14259059
IUPAC Name	4,8,9-trihydroxy-2,3,3-trimethyl-11-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one
Molecular Formula	C23H24O6
Molecular Weight	396.4
XLogP	5.7
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	683

SMILES

CC1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)CC=C(C)C)(C)C

InChI

InChI=1S/C23H24O6/c1-10(2)6-7-13-20-15(19(27)16-21(13)28-11(3)23(16,4)5)17(25)12-8-9-14(24)18(26)22(12)29-20/h6,8-9,11,24,26-27H,7H2,1-5H3

InChIKey

MPGIKBDCZHZTJM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121825-54-5

CID: 14259059

Formula: C23H24O6

MW: 396.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	5.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	396.15728848
Monoisotopic Mass	396.15728848
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	683
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
THC42184-01	Nemoralisin C
TEA52537-01	Sagittatoside C
ZHA33135-01	Dehydroglyasperin C
YEA70294-01	Kuwanol C
YAA37016-01	Chrysosplenol C
XM175848-01	Malabaricone C
XLA74099-01	Nudifloside C

Catalog	Name
451169-01	Gerontoxanthone C
451170	Gerontoxanthone C-d6