Glycyrrhetinic?acid, 98%

Name: Glycyrrhetinic?acid
Brand: Chempure

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CAS Number

1449-05-4

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IUPAC name	(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
inchi	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1
inchi key	MPDGHEJMBKOTSU-PMTKVOBESA-N
molecular formula	C30H46O4
synonyms	18alpha-Glycyrrhetinic acid 1449-05-4 18a-Glycyrrhetic acid beta-Glycyrrhetinic acid CCRIS 3963
Compound Description	18alpha-Glycyrrhetinic acid has been reported in Glycyrrhiza uralensis and Glycyrrhiza glabra with data available.

Computed Properties

Molecular Weight:	470.7 g/mol
XLogP3:	6.4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	470.33960994 g/mol
Monoisotopic Mass:	470.33960994 g/mol
Topological Polar Surface Area:	74.6 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	965
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%)
precautionary statement codes	P264, P270, P301+P317, P330, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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Product No: BJ5466

Glycyrrhetinic?acid, 98%

Product No: BJ5466

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