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(8xi,9xi,14xi,17xi)-16-(acetyloxy)-3-{[2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-beta-D-erythro-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

Catalog ID
STL564466
SMILES CC(=O)OC1CC2([C@](C1C1=CC(=O)OC1)(C)CCC1C2CCC2[C@]1(C)CCC(C2)O[C@H]1C[C@H](O)C([C@H](O1)C)OC1C[C@H](O)C([C@H](O1)C)OC1C[C@H](O)[C@@H]([C@H](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 C43H66O15 MW 822.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H
InChIKey
NEBPBFLVSYFRQE-ZQJVKRQNSA-N
Synonyms

((10S13R)3((2R4S6R)5((4S6R)5((4S5S6R)45dihydroxy6methyloxan2yl)oxy4hydroxy6methyloxan2yl)oxy4hydroxy6methyloxan2yl)oxy14hydroxy1013dimethyl17(5oxo2Hfuran3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren16yl)acetate
(8xi9xi14xi17xi)16(acetyloxy)3((26dideoxyDribohexopyranosyl(1>4)(4xi)26dideoxyDerythrohexopyranosyl(1>4)(4xi)26dideoxybetaDerythrohexopyranosyl)oxy)14hydroxycard20(22)enolide
(8XI9XI14XI17XI)16(ACETYLOXY)3((26DIDEOXYDRIBOHEXOPYRANOSYL(14)(4XI)26DIDEOXYDERYTHROHEXOPYRANOSYL(14)(4XI)26DIDEOXYBETADERYTHROHEXOPYRANOSYL)OXY)14HYDROXYCARD20(22
44662306
CC(=O)O(C@H)1C(C@)2((C@)((C@H)1C1=CC(=O)OC1)(C)CC(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@@H)(C2)O(C@H)1C(C@H)(O)C((C@H)(O1)C)OC1C(C@H)(O)C((C@H)(O1)C)OC1C(C@H)(O)(C@@H)((C@H)(O1)C)O)O
InChI=1SC43H66O15c12038(49)29(45)1535(5220)574022(3)5436(1731(40)47)583921(2)5334(1630(39)46)562691141(5)25(1426)782827(41)101242(6)37(241333(48)511924)32(5523(4)44)1843(2842)50h1320222532344045474950H7121419H216H3t20212225?26?27?28?29+30+31+32?34+35
MFCD32651477
ZINC000253505846
ZINC000253505854

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Available files

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