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(8xi,10xi,13xi,14xi,17xi)-3-[(3,4-di-O-acetyl-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Catalog ID
STL564982
SMILES O=CC12CCC(CC2(O)CCC2[C@@H]1CCC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1CC(OC(=O)C)C(C(O1)C)OC(=O)C

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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 C33H46O11 MW 618.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H46O11/c1-18-29(43-20(3)36)26(42-19(2)35)14-28(41-18)44-22-5-10-31(17-34)24-6-9-30(4)23(21-13-27(37)40-16-21)8-12-33(30,39)25(24)7-11-32(31,38)15-22/h13,17-18,22-26,28-29,38-39H,5-12,14-16H2,1-4H3/t18?,22?,23?,24-,25?,26?,28?,29?,30?,31?,32?,3
InChIKey
PHSBHTPVOGIRQM-SPZVZSQPSA-N
Synonyms

(2R3R4S6R)6(((3S5S8R9S10S13R14S17R)10formyl514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl)oxy)2methyltetrahydro2Hpyran34diyldiacetate
(3acetyloxy6(((9S)10formyl514dihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthren3yl)oxy)2methyloxan4yl)acetate
(8xi10xi13xi14xi17xi)3((34diOacetyl26dideoxyhexopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
145705564
InChI=1SC33H46O11c11829(4320(3)36)26(4219(2)35)1428(4118)442251031(1734)246930(4)23(211327(37)401621)81233(3039)25(24)71132(3138)1522h131718222628293839H5121416H214H3t18?22?23?2425?26?28?29?30?31?32?33?m0s1
O=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC1CC(OC(=O)C)C(C(O1)C)OC(=O)C
ZINC000253506001
ZINC000253506009

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Available files

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