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4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-di

Catalog ID
STL564689
SMILES O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1CC(O)[C@H](C(O1)C)O[C@H]1CC(O)[C@H](C(O1)C)O[C@H]1CC(O)[C@H](C(O1)C)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 C41H64O13 MW 764.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20?
InChIKey
WDJUZGPOPHTGOT-YGPXIDDYSA-N
Synonyms

16397785
3((3S5R8R9S10S13R14S17R)3((2R5S)5((2S5S)5((2S5S)45dihydroxy6methyloxan2yl)oxy4hydroxy6methyloxan2yl)oxy4hydroxy6methyloxan2yl)oxy14hydroxy1013dimethyl1234567891112151617tetradecahydrocyclopenta(a)phenanthren17yl)2Hfuran5one
InChI=1SC41H64O13c12036(46)29(42)1634(4920)533822(3)5135(1831(38)44)543721(2)5033(1730(37)43)522581139(4)24(1525)672827(39)91240(5)26(101341(2840)47)231432(45)481923h1420222431333842444647H6131519H215H3t20?21?22?2425+2627+2829?30?31?33+34+35+36373839
MFCD32651539
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@@H)(C2)O(C@H)1CC(O)(C@@H)(C(O1)C)O(C@H)1CC(O)(C@@H)(C(O1)C)O(C@H)1CC(O)(C@@H)(C(O1)C)O)O
ZINC000094303270
ZINC000257361282

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Available files

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