Periplocymarin

CAT: 1407-AB1886Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB1886Size:20 mg

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CAS Number

32476-67-8

Purity

98% (HPLC)

Molecular Formula

C30H46O8

Molecular Weight

534.69

Chemical Information

Periplocymarin

Periplocymarin is a cardenolide glycoside.

CAS Number	32476-67-8
PubChem CID	12305974
IUPAC Name	3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular Formula	C30H46O8
Molecular Weight	534.7
XLogP	1.2
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	38
Formal Charge	0
Complexity	983

SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O

InChI

InChI=1S/C30H46O8/c1-17-26(32)23(35-4)14-25(37-17)38-19-5-9-27(2)21-6-10-28(3)20(18-13-24(31)36-16-18)8-12-30(28,34)22(21)7-11-29(27,33)15-19/h13,17,19-23,25-26,32-34H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28-,29+,30+/m1/s1

InChIKey

XRWQBDJPMXRDOQ-YUUDFPFBSA-N

Chemical Structure

2D Structure

CAS: 32476-67-8

CID: 12305974

Formula: C30H46O8

MW: 534.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	534.7
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	534.31926842
Monoisotopic Mass	534.31926842
Topological Polar Surface Area	115 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	983
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
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
HBA47667-01	Periplocymarin

Periplocymarin

Chemical Information

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