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2-[(2-{(1R,3S,4S,5S,7R,9S,12R,14S,17R,18R)-5-hydroxy-3,8,8,17,19-pentamethyl-9-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-22-yl}propan-2-yl)oxy]-6-methoxytetrahydro-2H-pyr

Catalog ID
STL566268
SMILES COC1OC(OC([C@H]2O[C@]34OC2C[C@H]([C@@H]4[C@@]2([C@](C3)(C)[C@@H]3[C@@H](O)C[C@@H]4[C@@]5([C@@]3(CC2)C5)CC[C@@H](C4(C)C)OC2OCC(C(C2O)O)O)C)C)(C)C)C(C(C1O)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 C41H66O14 MW 782.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H66O14/c1-18-13-21-31(36(4,5)55-34-28(48)25(45)27(47)32(49-8)52-34)54-41(53-21)16-38(7)30-19(42)14-22-35(2,3)23(51-33-26(46)24(44)20(43)15-50-33)9-10-39(22)17-40(30,39)12-11-37(38,6)29(18)41/h18-34,42-48H,9-17H2,1-8H3/t18-,19+,20?,21?,22+,23+,
InChIKey
SPEHTZJJRZONBU-VBHVGCPHSA-N
Synonyms
2((2((1R3S4S5S7R9S12R14S17R18R)5hydroxy3881719pentamethyl9((345trihydroxytetrahydro2Hpyran2yl)oxy)2324dioxaheptacyclo(19210~118~0~317~0~414~0~712~0~1214~)tetracos22yl)propan2yl)oxy)6methoxytetrahydro2Hpyr
2(2((1R3S4S5S7R9S12R14S17R18R19R22S)5hydroxy3881719pentamethyl9(345trihydroxyoxan2yl)oxy2324dioxaheptacyclo(1921011803170414071201214)tetracosan22yl)propan2yloxy)6methoxyoxane345triol
COC1OC(OC((C@H)2O(C@)34OC2C(C@H)((C@@H)4(C@@)2((C@)(C3)(C)(C@@H)3(C@@H)(O)C(C@@H)4(C@@)5((C@@)3(CC2)C5)CC(C@@H)(C4(C)C)OC2OCC(C(C2O)O)O)C)C)(C)C)C(C(C1O)O)O
RACOS22YL)PROPAN2YL)OXY)6METHOXYTETRAHYDRO2HPYR
Registry IDs
MFCD08283918
ZINC000253499146
ZINC000253499149

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Available files

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