10-DEACETYLBACCATIN III

CAS No.
92999-93-4 ;32981-86-5
CCD No.
CCD00063921
Formula
C29 H36 O10
MolWeight
544.593

Basic Information

Product Name: 10-DEACETYLBACCATIN III
CAS: 92999-93-4 ;32981-86-5
English Synonyms: BACCATIN III, 10-DEACETYL- ; 2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE HOLMIUM(III) ; 10-DEACETYLBACCATIN ; 10-DEACETYLBACCATINE III ; (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-1,2A,3,4,4A,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,9,11-TETRAHYDROXY-4A,8,13,13-TETRAMETHYL-7,11-METHANO-5H-CYCLODECA[3,4]BENZ[1,2-B]OXET-5-ONE ; 10-DEACETYLBACCATIN III ; 10-DEACETYL BACCATINE IIII ; DEACETYLBACCATIN III, 10- ; DESACETYLBACCATINE ; 10-DAB-III ; 10-DEACETYLBACCATINE ; 10-DAB
MDL Number.: MFCD00132913
H bond acceptor: 10
H bond donor: 4
Smile: CC1=C2[C@@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O
InChi: InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21-,22-,24-,27+,28-,29+/m0/s1
InChiKey: InChIKey=YWLXLRUDGLRYDR-RORZEMHPSA-N

Property

Melting Point: 231-236℃

Safety information

WGK Germany: 3

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