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(8xi,9xi,14xi,17xi)-11-(acetyloxy)-5,14-dihydroxy-3-[(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]card-20(22)-enolide

Catalog ID
STL524655
SMILES CC(=O)OC1C[C@]2(C)C(CCC2(C2C1[C@@]1(C)CCC(CC1(CC2)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)O)C1=CC(=O)OC1

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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 C37H52O14 MW 720.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H52O14/c1-18-30(48-20(3)39)31(49-21(4)40)32(50-22(5)41)33(46-18)51-24-8-11-34(6)29-26(9-12-36(34,43)15-24)37(44)13-10-25(23-14-28(42)45-17-23)35(37,7)16-27(29)47-19(2)38/h14,18,24-27,29-33,43-44H,8-13,15-17H2,1-7H3/t18-,24?,25?,26?,27?,29?,30-
InChIKey
DLOMXAWRMLVFKA-JDCNYUHQSA-N
Synonyms

((10~(R)13~(R))514dihydroxy1013dimethyl17(5oxo2~(H)furan3yl)3((2~(R)3~(R)4~(R)5~(S)6~(S))345triacetyloxy6methyloxan2yl)oxy23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren11yl)acetate
(3R4R5S6S)2(((3S5S8R9S10R11R13R14S17R)11acetoxy514dihydroxy1013dimethyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl)oxy)6methyltetrahydro2Hpyran345triyltriacetate
(8xi9xi14xi17xi)11(acetyloxy)514dihydroxy3((234triOacetyl6deoxyalphaLmannopyranosyl)oxy)card20(22)enolide
44662864
CC(=O)O(C@@H)1C(C@)2(C)(C@H)(CC(C@@)2((C@H)2(C@H)1(C@@)1(C)CC(C@@H)(C(C@)1(CC2)O)OC1O(C@@H)(C)(C@@H)((C@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)O)C1=CC(=O)OC1
InChI=1SC37H52O14c11830(4820(3)39)31(4921(4)40)32(5022(5)41)33(4618)512481134(6)2926(91236(3443)1524)37(44)131025(231428(42)451723)35(377)1627(29)4719(2)38h1418242729334344H8131517H217H3t1824?25?26?27?29?3031+32+3334+35+36?37?m0s1
MFCD01547602
ZINC000253504616
ZINC000253504629

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Available files

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