Physalin D

CAT: 0926-ECA98022-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-ECA98022-01Size:10 mg

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CAS Number

54980-22-2

MDL Number

MFCD09837976

Smiles

C1=C (C=C (C2=C1NNC2=O) Cl) Cl

Molecular Formula

C28H32O11

Molecular Weight

544.50 g/mol

Controlled

Chemical Information

Physalin D

Physalin D has been reported in Alkekengi officinarum, Physalis peruviana, and other organisms with data available.

CAS Number	54980-22-2
PubChem CID	44575286
IUPAC Name	(1R,2S,5S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
Molecular Formula	C28H32O11
Molecular Weight	544.5
XLogP	-0.8
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	0
Heavy Atom Count	39
Formal Charge	0
Complexity	1330

SMILES

C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@@](O5)([C@@H]7C[C@H]([C@]8(CC=CC(=O)[C@@]8([C@H]7CC[C@]6(C(=O)O4)O)C)O)O)OC[C@H]2C(=O)O3)C

InChI

InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27-,28-/m0/s1

InChIKey

DUGJJSWZRHBJJK-IGRMCQLTSA-N

Chemical Structure

2D Structure

CAS: 54980-22-2

CID: 44575286

Formula: C28H32O11

MW: 544.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.5
XLogP3	-0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	0
Exact Mass	544.19446183
Monoisotopic Mass	544.19446183
Topological Polar Surface Area	166 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
VEA84918-01	Physalin O
BDA04538-01	Physalin G
YAA13356-01	Physalin B
HCA42371-01	Physalin F
VCA24109-01	Physalin H
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P

Alternative Products

Catalog	Name
TRC-P397900-1MG	Physalin A
TN4776	Physalin D
583133	Physalin F
HY-N10023-01	Physalin O
MBS3612675-01	Physalin L
MBS5786776	Physalin B
MBS5762941	Physalin G
GTR19269491	Physalin C
TN7372-01	Physalin X

Physalin D

Chemical Information

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