AG00HHVG

125-65-5 | Acetic acid, hydroxy-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester

AG00HHVG

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CAS Number	125-65-5
Catalog Number	AG00HHVG(AGN-PC-0PI350)
Chemical Name	Acetic acid, hydroxy-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester
EC Number	204-747-5
IUPAC Name	[(2R,3S,4S,6R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
InChI	InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21?,22?/m1/s1
InChI Key	ZRZNJUXESFHSIO-JKZASVEESA-N
MDL Number	MFCD28154633
Molecular Formula	C22H34O5
Molecular Weight	378.5024
SMILES	OCC(=O)O[C@@H]1C[C@]([C@H]([C@@H]([C@]23[C@H]([C@]1(CC[C@H]3C)C)C(CC2)=O)C)O)(C=C)C
Synonyms	Drosophilin B, octahydro-5,8-dihydroxy-4,6,9,10- tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopenta- cycloocten-1(4H)-one 8-glycolate, pleuromutilin, Pleuromutilin, PLEUROMULIN, 125-65-5, CTK8F1110, HY-N2301, KS-00001FL9, AKOS030241403, CS-5813, SC-65094, TC-020946, 2-Hydroxyacetic Acid (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl Ester, Acetic acid, hydroxy-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester, Pleuromulinum, Pleuromulina, Pleuromuline, Drosophilin B, Drosopholin B, Pleuromulin [INN], Antibiotic BC 757, Mutilin 14-glycolate, Antibiotic A 40104C, Pleuromuline [INN-French], Pleuromulinum [INN-Latin], Pleuromulina [INN-Spanish], UNII-3DE4A80MZ1, C22H34O5, EINECS 204-747-5, BC 757, Glycolic acid, 8-ester with mutilin, A 4014C, C22-H34-O5, CS-O-30745, NSC 121145, 14-Deoxy-14-((hydroxyacetyl)oxy)mutilin, 14-Deoxy-14-[(hydroxyacetyl)oxy]mutilin, EC 204-747-5, Acetic acid, hydroxy-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	378.241g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	378.509g/mol
Monoisotopic Mass	378.241g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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