Zedoalactone C

CAT: 0013-GTR19279418-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19279418-02Size:50 mg

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Description

Zedoalactone C is a naturally occurring sesquiterpene.

CAS Number

864430-46-6

Smiles

C[C@@]1 (O) [C@@]2 ([C@@] ([C@@] (C) (O) C[C@]3 (C (C2) =C (C) C (=O) O3) [H]) (CC1) [H]) [H]

Molecular Formula

C15H22O4

Molecular Weight

266.34

Notes

For research use only.

Chemical Information

Zedoalactone C

Zedoalactone C has been reported in Curcuma phaeocaulis and Curcuma zedoaria with data available.

CAS Number	864430-46-6
PubChem CID	73354955
IUPAC Name	(3aS,5S,5aS,8S,8aS)-5,8-dihydroxy-1,5,8-trimethyl-4,5a,6,7,8a,9-hexahydro-3aH-azuleno[6,5-b]furan-2-one
Molecular Formula	C15H22O4
Molecular Weight	266.33
XLogP	0.7
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	469

SMILES

CC1=C2C[C@H]3[C@H](CC[C@]3(C)O)[C@@](C[C@@H]2OC1=O)(C)O

InChI

InChI=1S/C15H22O4/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,18)7-12(9)19-13(8)16/h10-12,17-18H,4-7H2,1-3H3/t10-,11-,12-,14-,15-/m0/s1

InChIKey

BQDXDGDOYPUUOD-YLXLXVFQSA-N

Chemical Structure

2D Structure

CAS: 864430-46-6

CID: 73354955

Formula: C15H22O4

MW: 266.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.33
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	266.15180918
Monoisotopic Mass	266.15180918
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	469
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
GTR19269202	Zedoalactone A
GTR19269160	Zedoalactone F
GTR19228313-01	Zedoalactone B
GTR18404846-01	Antibody to C. trachomatis, C. pneumoniae & C. psittaci
GTR19226968-01	C-NH-Boc-C-Bis- (C-PEG1-Boc)
GTR19222069-01	CHO-C-PEG2-C-CHO
GTR17699513	Chromogranin-C (C-term) Antibody
GTR17699511	Chromogranin-C (C-term) Antibody
GTR19020645-01	C-C motif chemokine 24
GTR19020644-01	C-C motif chemokine 24

Catalog	Name
HY-N10381-01	Zedoalactone B