Lantanilic acid

CAT: 0931-TN5975Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN5975Size:5 mg

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CAS Number

60657-41-2

Bioactivity

Lantanilic acid is a natural product for research related to life sciences. The catalog number is TN5975 and the CAS number is 60657-41-2.

Smiles

[H][C@@]12[#6]C([#6])([#6])[#6]-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])[C@@]1([#6]-[#6][C@]1([#6])[#6]2=[#6]-[#6][C@@]2([H])[C@@]1([#6])[#6]-[#6][C@@]1([H])C([#6])([#6])[C@]3([#8])[#6]-[#6][C@]21[#6]-[#8]3)[#6](-[#8])=O |t:22|

Molecular Formula

C35H52O6

Molecular Weight

568.795

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Lantanilic acid

Lantanilic acid has been reported in Lantana cujabensis, Lippia turbinata, and other organisms with data available.

CAS Number	60657-41-2
PubChem CID	101316804
IUPAC Name	(1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-(3-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
Molecular Formula	C35H52O6
Molecular Weight	568.8
XLogP	7.4
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	41
Formal Charge	0
Complexity	1220

SMILES

CC(=CC(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@]46CC[C@@](C5(C)C)(OC6)O)C)C)C(=O)O)(C)C)C

InChI

InChI=1S/C35H52O6/c1-21(2)17-27(36)41-26-19-29(3,4)18-23-22-9-10-25-32(8,31(22,7)13-15-34(23,26)28(37)38)12-11-24-30(5,6)35(39)16-14-33(24,25)20-40-35/h9,17,23-26,39H,10-16,18-20H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,31+,32+,33+,34-,35-/m0/s1

InChIKey

HGMVESCHSMFWDD-ZUQXEZLCSA-N

Chemical Structure

2D Structure

CAS: 60657-41-2

CID: 101316804

Formula: C35H52O6

MW: 568.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	568.8
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	568.37638937
Monoisotopic Mass	568.37638937
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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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Lantanilic acid

Chemical Information

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