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(3beta,6alpha,9xi,12beta,13alpha,17xi)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Catalog ID
STL565825
SMILES OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)C([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@@H]2[C@@]3(C)CCC2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[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 C48H82O18 MW 947.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20
InChIKey
PWAOOJDMFUQOKB-BJBUHHIASA-N
Synonyms

(2S3R4R5R6S)2((2R3R4S5S6R)2(((3S5R6S8R10R12R13S14R)312dihydroxy4481014pentamethyl17((2S)6methyl2((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxyhept5en2yl)235679111213151617dodecahydro1Hcyclopenta(a)phenanthren6yl)oxy)45dihydroxy6(hydroxymethyl)
(3beta6alpha9xi12beta13alpha17xi)20(betaDglucopyranosyloxy)312dihydroxydammar24en6yl2O(6deoxyalphaLmannopyranosyl)betaDglucopyranoside
49652363
InChI=1SC48H82O18c121(2)11101448(9664238(60)35(57)32(54)26(1949)6342)23121646(7)30(23)24(51)172845(6)151329(52)44(45)40(45)25(1847(2846)8)624339(36(58)33(55)27(2050)6443)654137(59)34(56)31(53)22(3)6141h1122434960H101220H219H3t2223?24+2526+27+28?2930+
MFCD32651735
OC(C@H)1O(C@@H)(O(C@H)2C(C@)3(C)C((C@@)4((C@@H)2C(C)(C)(C@@H)(O)CC4)C)C(C@H)((C@@H)2(C@@)3(C)CCC2(C@@)(O(C@@H)2O(C@H)(CO)(C@H)((C@@H)((C@H)2O)O)O)(CCC=C(C)C)C)O)(C@@H)((C@H)((C@@H)1O)O)O(C@@H)1O(C@@H)(C)(C@@H)((C@H)((C@H)1O)O)O
ZINC000252448790
ZINC000252448793

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Available files

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