Carnosol

CAT: 0127-BIM1253-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BIM1253-04Size:50 mg

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CAS Number

5957-80-2

MDL Number

MFCD02752467

Smiles

CC(C)c1cc2[C@H]3C[C@H]4C(C)(C)CCC[C@@]4(C(=O)O3)c2c(O)c1O

Additionnal Information

Store at -20°C

Storage Conditions

Store at -20°C

Chemical Information

Carnosol

Carnosol is a diterpenoid.

CAS Number	5957-80-2
PubChem CID	442009
IUPAC Name	(1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Molecular Formula	C20H26O4
Molecular Weight	330.4
XLogP	4.4
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	542

SMILES

CC(C)C1=C(C(=C2C(=C1)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O

InChI

InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1

InChIKey

XUSYGBPHQBWGAD-PJSUUKDQSA-N

Chemical Structure

2D Structure

CAS: 5957-80-2

CID: 442009

Formula: C20H26O4

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	330.18310931
Monoisotopic Mass	330.18310931
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	542
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

Catalog	Name
BUP11328-01	Carnosic acid
BIFK0050-01	Carnosic Acid, Free Acid
OR315164-01	4- (9H-Carbozol-9-yl) phenylboronic acid

Catalog	Name
443986-01	Carnosol