Finished Dosage Form (FDF) export of 18 Beta-Glycyrrhetinic Acid obtained from Indian Custom Trade Statistics

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USDMF

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JDMF

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EU WC

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KDMF

KDMF

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NDC API

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VMF

NDC API

API REF. PRICE (USD/KG)

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$ 0

MARKET PLACE

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API

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FDF

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FINISHED DOSAGE FORMULATIONS

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FDA Orange Book

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Europe

Europe

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Canada

Canada

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Australia

Australia

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South Africa

South Africa

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Chemistry

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Also known as: Chembl393824
Molecular Formula
C30H46O4
Molecular Weight
470.7  g/mol
InChI Key
MPDGHEJMBKOTSU-HDCNTZMNSA-N

18 Beta-Glycyrrhetinic Acid
1 2D Structure

18 Beta-Glycyrrhetinic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,4aS,6aS,6bR,8aR,10S,12aS,14bR)-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
2.1.2 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+/m0/s1
2.1.3 InChI Key
MPDGHEJMBKOTSU-HDCNTZMNSA-N
2.1.4 Canonical SMILES
CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
2.1.5 Isomeric SMILES
C[C@]12CC[C@@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Chembl393824

2.3 Create Date
2009-11-19
3 Chemical and Physical Properties
Molecular Weight 470.7 g/mol
Molecular Formula C30H46O4
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass470.33960994 g/mol
Monoisotopic Mass470.33960994 g/mol
Topological Polar Surface Area74.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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