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(5xi,8xi,9xi,12alpha,14beta,17alpha)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

Catalog ID
STL565835
SMILES OC[C@H]1O[C@@H](OC2CC[C@]3(C(C2(C)C)CCC2(C3C[C@H](O)[C@H]3[C@]2(C)CC[C@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C42H72O13 MW 785.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24-,25-,26?,27?,28?
InChIKey
RWXIFXNRCLMQCD-IYQWPKGUSA-N
Synonyms

(2S3R4S5S6R)2((2R3R4S5S6R)45dihydroxy2(((10R12S13R14S17R)12hydroxy17((2S)2hydroxy6methylhept5en2yl)4481014pentamethyl235679111213151617dodecahydro1Hcyclopenta(a)phenanthren3yl)oxy)6(hydroxymethyl)oxan3yl)oxy6(hydroxymethyl)oxane345triol
(5xi8xi9xi12alpha14beta17alpha)1220dihydroxydammar24en3yl2ObetaDglucopyranosylbetaDglucopyranoside
49652295
InChI=1SC42H72O13c121(2)1091442(851)22111641(7)29(22)23(45)182739(5)151328(38(34)26(39)121740(2741)6)543735(33(49)31(47)25(2044)5337)553634(50)32(48)30(46)24(1943)5236h1022374351H91120H218H3t2223+242526?27?28?29+303132+33+343536+37+39+40?41+42+m1s1
MFCD32651739
OC(C@H)1O(C@@H)(OC2CC(C@)3(C(C2(C)C)CCC2(C3C(C@H)(O)(C@H)3(C@)2(C)CC(C@H)3(C@)(CCC=C(C)C)(O)C)C)C)(C@@H)((C@H)((C@@H)1O)O)O(C@@H)1O(C@H)(CO)(C@H)((C@@H)((C@H)1O)O)O
ZINC000085914827
ZINC000253530344

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Available files

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