Physalin O

CAT: 0127-BUP22200-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22200-05Size:50 mg

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CAS Number

120849-18-5

Purity

=98%

Smiles

[H][C@@]12C(=O)[C@]3(O)O[C@@]11[C@](O)(CC[C@@]4([H])[C@@]3([H])[C@H](O)C=C3CC=CC(=O)[C@]43C)C(=O)O[C@@]1(C)[C@H]1C[C@]2(C)[C@H](C)C(=O)O1

Chemical Information

Physalin O

(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-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 has been reported in Alkekengi officinarum var. franchetii with data available.

CAS Number	120849-18-5
PubChem CID	44577489
IUPAC Name	(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-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	C28H32O10
Molecular Weight	528.5
XLogP	-0.1
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	1300

SMILES

C[C@@H]1C(=O)O[C@@H]2C[C@]1([C@@H]3C(=O)[C@]4([C@H]5[C@H](CC[C@]6([C@]3([C@]2(OC6=O)C)O4)O)[C@@]7(C(=C[C@H]5O)CC=CC7=O)C)O)C

InChI

InChI=1S/C28H32O10/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/h5,7,10,12,14-15,17-19,29,34-35H,6,8-9,11H2,1-4H3/t12-,14+,15-,17-,18+,19+,23-,24+,25+,26+,27-,28+/m1/s1

InChIKey

QFAOFAWTSOFSQA-HRLARMCRSA-N

Chemical Structure

2D Structure

CAS: 120849-18-5

CID: 44577489

Formula: C28H32O10

MW: 528.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	528.5
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	528.19954721
Monoisotopic Mass	528.19954721
Topological Polar Surface Area	157 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1300
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

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583133	Physalin F
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TN7372-01	Physalin X

Physalin O

Chemical Information

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