Neoprocurcumenol

CAT: 0607-BA2226-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2226-1Size:1 mg

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CAS Number

102130-91-6

Molecular Formula

C15H22O2

Molecular Weight

234.33

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Neoprocurcumenol

Neoprocurcumenol has been reported in Curcuma aromatica with data available.

CAS Number	102130-91-6
PubChem CID	14543200
IUPAC Name	(3S,3aS)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,7-tetrahydro-1H-azulen-6-one
Molecular Formula	C15H22O2
Molecular Weight	234.33
XLogP	1.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	424

SMILES

CC1=C2CC[C@]([C@H]2CC(=C(C)C)C(=O)C1)(C)O

InChI

InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h13,17H,5-8H2,1-4H3/t13-,15-/m0/s1

InChIKey

DAUDFKSHOYLOOB-ZFWWWQNUSA-N

Chemical Structure

2D Structure

CAS: 102130-91-6

CID: 14543200

Formula: C15H22O2

MW: 234.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.33
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	234.161979940
Monoisotopic Mass	234.161979940
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
TN4641	Neoprocurcumenol