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(2R,3S,4S,5S,6S)-2-(((3R,10R,13S)-3-hydroxy-17-((2S)-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1-(((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan

Catalog ID
STL564354
SMILES OCC1O[C@H](OC2CC3[C@](C2[C@@H](C(CCC(C)C)O)C)(C)CCC2C3CC=C3[C@]2(C)C(C[C@@H](C3)O)O[C@@H]2OC(CO)[C@@H](C(C2O)O)O)C(C([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 C39H66O14 MW 758.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21?,22?,23?,24?,25?,2
InChIKey
JPJDIOVDAAVUNF-JCBACFEVSA-N
Synonyms

(2R5S)2(((3R10R13S)3hydroxy17((2S)3hydroxy6methylheptan2yl)1013dimethyl1((2R5S)345trihydroxy6(hydroxymethyl)oxan2yl)oxy234789111214151617dodecahydro1Hcyclopenta(a)phenanthren16yl)oxy)6(hydroxymethyl)oxane345triol
139291913
ALLOSIDEB
InChI=1SC39H66O14c117(2)6924(43)18(3)2925(503634(48)32(46)30(44)26(1540)5136)14232187191220(42)1328(39(195)22(21)101138(2329)4)533735(49)33(47)31(45)27(1641)5237h7171820374049H6816H215H3t182021?22?23?24?25?26?27?28?29?303132?33?34?35?3637+38+39+m1s1
MFCD32651443
OCC1OC(O(C@H)2CC3(C@)((C@H)2(C@@H)((C@H)(CCC(C)C)O)C)(C)CCC2(C@H)3CC=C3(C@)2(C)(C@@H)(C(C@@H)(C3)O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O
ZINC000257360818
ZINC001848443621

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Available files

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