2α,19α-Dihydroxy-3-oxo-urs-12-en-28-oic acid

Category	Herpes simplex Virus (HSV)
CAS	176983-21-4
Description	2α,19α-Dihydroxy-3-oxo-urs-12-en-28-oic acid is a natural compound isolated from the leaves of Eriobotrya japonica.

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Synonyms	2alpha,19alpha-Dihydroxy-3-oxo-urs-12-en-28-oic acid;176983-21-4;2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic acid;(1R,2R,4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid;CHEBI:65783;2\|A,19\|A-Dihydroxy-3-oxo-urs-12-en-28-oic acid;(2alpha)-2,19-dihydroxy-3-oxours-12-en-28-oic acid;SCHEMBL870185;CHEMBL459413;HY-N4155;AKOS040761044;FS-6861;CS-0032248;Q27134272;
IUPAC Name	(1R,2R,4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid
Molecular Weight	486.68
Molecular Formula	C30H46O5
Canonical SMILES	OC([C@]12[C@]([C@](O)([C@@H](CC2)C)C)([H])C3=CC[C@@]([C@@]4([C@@](C(C)(C([C@@H](C4)O)=O)C)([H])CC5)C)([H])[C@]5(C)[C@@]3(CC1)C)=O
InChI	InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1
InChIKey	LJORXTIGOHMBOS-OTRVPSFMSA-N
Purity	98.0%
Appearance	Powder
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.