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(2R,3R,4S,5S,6R)-2-(((2aR,5aS,7S)-9-(((2S,3R,4S,5R)-4,5-dihydroxy-3-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-7-hydroxy-2a,5a,8,8-tetramethylhexadecahydrocyclopen

Catalog ID
STL564670
SMILES OCC1O[C@@H](OC2C[C@@]3([C@](C2[C@@H](CCC(C(O)(C)C)O)C)(C)CCC24C3C[C@H](O)C3C4(C2)CCC(C3(C)C)O[C@@H]2OC[C@@H](C(C2O[C@@H]2OC[C@@H](C(C2O)O)O)O)O)C)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 C46H78O18 MW 919.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H78O18/c1-20(8-9-27(51)42(4,5)58)29-24(61-39-35(57)33(55)32(54)25(16-47)62-39)15-44(7)26-14-21(48)37-41(2,3)28(10-11-46(37)19-45(26,46)13-12-43(29,44)6)63-40-36(31(53)23(50)18-60-40)64-38-34(56)30(52)22(49)17-59-38/h20-40,47-58H,8-19H2,1-7H3/t
InChIKey
HOLYOOXYJNTQAV-RYDFPJJNSA-N
Synonyms

(2R5S)2(((9S12S16R)15((2R)56dihydroxy6methylheptan2yl)6((2S5R)45dihydroxy3((2S5S)345trihydroxyoxan2yl)oxyoxan2yl)oxy9hydroxy771216tetramethyl14pentacyclo(97001303801216)octadecanyl)oxy)6(hydroxymethyl)oxane345triol
145705528
InChI=1SC46H78O18c120(8927(51)42(45)58)2924(613935(57)33(55)32(54)25(1647)6239)1544(7)261421(48)3741(23)28(101146(37)1945(2646)131243(2944)6)634036(31(53)23(50)186040)643834(56)30(52)22(49)175938h20404758H819H217H3t2021+22+2324?25?26?27?28?29?30?31?3
OC(C@@H)1O(C@H)(O(C@H)2C(C@@)3((C@)((C@H)2(C@@H)(CC(C@H)(C(O)(C)C)O)C)(C)CC(C@@)24(C@H)3C(C@H)(O)(C@@H)3(C@)4(C2)CC(C@@H)(C3(C)C)O(C@@H)2OC(C@H)((C@@H)((C@H)2O(C@@H)2OC(C@H)((C@@H)((C@H)2O)O)O)O)O)C)(C@H)((C@@H)((C@H)1O)O)O
ZINC000253505033
ZINC001848443593

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Available files

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