11β-Hydroxycedrelone

CAT: 0926-ILA17418-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-ILA17418-01Size:5 mg

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CAS Number

283174-18-5

MDL Number

MFCD20260654

Smiles

CC1 (C (=O) C=CC2 (C1=C (C (=O) C3 (C2C (CC4 (C35C (O5) CC4C6=COC=C6) C) O) C) O) C) C

Molecular Formula

C26H30O6

Molecular Weight

438.5 g/mol

Controlled

Chemical Information

11beta-Hydroxycedrelone

CAS Number	283174-18-5
PubChem CID	16724459
IUPAC Name	(1R,2R,4R,6S,7S,9S,10R,11R)-6-(furan-3-yl)-9,17-dihydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
Molecular Formula	C26H30O6
Molecular Weight	438.5
XLogP	2.5
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	32
Formal Charge	0
Complexity	1010

SMILES

C[C@@]12C[C@@H]([C@@H]3[C@]4(C=CC(=O)C(C4=C(C(=O)[C@]3([C@@]15[C@H](O5)C[C@H]2C6=COC=C6)C)O)(C)C)C)O

InChI

InChI=1S/C26H30O6/c1-22(2)16(28)6-8-23(3)19-15(27)11-24(4)14(13-7-9-31-12-13)10-17-26(24,32-17)25(19,5)21(30)18(29)20(22)23/h6-9,12,14-15,17,19,27,29H,10-11H2,1-5H3/t14-,15-,17+,19+,23+,24-,25-,26+/m0/s1

InChIKey

GXFXHNQBTKQCGX-SAUZOWKASA-N

Chemical Structure

2D Structure

CAS: 283174-18-5

CID: 16724459

Formula: C26H30O6

MW: 438.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	438.5
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	438.20423867
Monoisotopic Mass	438.20423867
Topological Polar Surface Area	100 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N1017	11β-Hydroxycedrelone
GTR19182812	11beta-Hydroxycedrelone
BA7082-1	11β-HSD1-IN-11
BUP12606-01	11ß-HSD1-IN-11
U788852	Undecanoic-11,11,11-d3 Acid
B688439	1-Bromoundecane-11,11,11-d3
053198	11-OHP (11-Hydroxyprogesterone)
T8782-01	MitoBloCK-11 (MB-11)
GWB-867D56	Interleukin-11 (IL-11)
BUP07132-01	MitoBloCK-11 (MB-11)

11β-Hydroxycedrelone

Chemical Information

Alternative Products

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