ZK159222

CAT: 0607-BA9273-.5Size: 500 µgDry Ice: NoHazardous: No

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CAT#:0607-BA9273-.5Size:500 µg

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

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CAS Number

156965-15-0

Form

A solid

Molecular Formula

C32H48O5

Molecular Weight

512.72

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

ZK159222

ZK 159222 is a vitamin D.

CAS Number	156965-15-0
PubChem CID	9936230
IUPAC Name	butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate
Molecular Formula	C32H48O5
Molecular Weight	512.7
XLogP	5
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	37
Formal Charge	0
Complexity	941

SMILES

CCCCOC(=O)C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O

InChI

InChI=1S/C32H48O5/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)26-12-13-27-23(8-7-15-31(26,27)4)10-11-24-19-25(33)20-28(34)22(24)3/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,23-10+,24-11-/t21-,25-,26-,27+,28+,29-,31-/m1/s1

InChIKey

SPARTCPUGRJFRS-PBDCIXLPSA-N

Chemical Structure

2D Structure

CAS: 156965-15-0

CID: 9936230

Formula: C32H48O5

MW: 512.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.7
XLogP3	5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	512.35017463
Monoisotopic Mass	512.35017463
Topological Polar Surface Area	87 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	941
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T17292	ZK159222

ZK159222

Chemical Information

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