Physalin A

CAT: 0572-TRC-P397900-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-P397900-1MGSize:1 mg

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CAS Number

23027-91-0

Hazard Statement

No Data Available

Smiles

C[C@@]12C[C@@H](OC(=O)C1=C)[C@]3(C)OC(=O)[C@]4(O)CC[C@H]5[C@@H]([C@H](O)C=C6CC=CC(=O)[C@]56C)[C@@]7(O)O[C@@]34[C@H]2C7=O

Molecular Formula

C28 H30 O10

Molecular Weight

526.532

InChI

InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26+,27+,28-/m0/s1

Additionnal Information

IUPAC name: (1S,2S,3R,5R,6S,7R,14R,15S,18S,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

Shipping Conditions

Room Temperature

Chemical Information

Physalin A

Physalin A is a physalin.

CAS Number	23027-91-0
PubChem CID	44577487
IUPAC Name	(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
Molecular Formula	C28H30O10
Molecular Weight	526.5
XLogP	0
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Heavy Atom Count	38
Formal Charge	0
Complexity	1350

SMILES

C[C@]12C[C@H]([C@]3([C@]45[C@H]1C(=O)[C@](O4)([C@H]6[C@H](CC[C@@]5(C(=O)O3)O)[C@@]7(C(=C[C@H]6O)CC=CC7=O)C)O)C)OC(=O)C2=C

InChI

InChIKey

VELDODQHYQSJOF-RPKVKFPNSA-N

Chemical Structure

2D Structure

CAS: 23027-91-0

CID: 44577487

Formula: C28H30O10

MW: 526.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	526.5
XLogP3	0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	526.18389715
Monoisotopic Mass	526.18389715
Topological Polar Surface Area	157 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1350
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
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
MBS5787293	Physalin A
VEA84918-01	Physalin O
TN4776	Physalin D
583133	Physalin F
MBS3612675-01	Physalin L
MBS5786776	Physalin B
MBS5762941	Physalin G
GTR19269491	Physalin C
TN7372-01	Physalin X

Physalin A

Chemical Information

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