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(5alpha,8xi,14xi,17alpha)-3-[(2,4-di-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-19-oxobufa-20,22-dienolide

Catalog ID
STL565738
SMILES COC1C(OC(=O)C)C(OC2CC[C@]3([C@H](C2)CCC2[C@@H]3CC[C@]3(C2(O)CC[C@H]3c2ccc(=O)oc2)C)C=O)OC(C1OC(=O)C)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 C35H48O11 MW 644.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H48O11/c1-19-29(44-20(2)37)30(41-5)31(45-21(3)38)32(43-19)46-24-10-14-34(18-36)23(16-24)7-8-27-26(34)11-13-33(4)25(12-15-35(27,33)40)22-6-9-28(39)42-17-22/h6,9,17-19,23-27,29-32,40H,7-8,10-16H2,1-5H3/t19?,23-,24?,25-,26-,27?,29?,30?,31?,32?,33
InChIKey
XTEZZAJMGDURLB-YWZMQRQFSA-N
Synonyms

(2R3S4R5S6S)2(((5S9S10R13R17S)10formyl14hydroxy13methyl17(2oxo2Hpyran5yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl)oxy)4methoxy6methyltetrahydro2Hpyran35diyldiacetate
(5acetyloxy6(((5S9S10R13R17S)10formyl14hydroxy13methyl17(6oxopyran3yl)1234567891112151617tetradecahydrocyclopenta(a)phenanthren3yl)oxy)4methoxy2methyloxan3yl)acetate
(5alpha8xi14xi17alpha)3((24diOacetyl6deoxy3Omethylhexopyranosyl)oxy)14hydroxy19oxobufa2022dienolide
16407048
COC1C(OC(=O)C)C(OC2CC(C@)3((C@H)(C2)CCC2(C@@H)3CC(C@)3(C2(O)CC(C@H)3c2ccc(=O)oc2)C)C=O)OC(C1OC(=O)C)C
InChI=1SC35H48O11c11929(4420(2)37)30(415)31(4521(3)38)32(4319)4624101434(1836)23(1624)782726(34)111333(4)25(121535(2733)40)226928(39)421722h6917192327293240H781016H215H3t19?2324?252627?29?30?31?32?33+34+35?m0s1
ZINC000253499194
ZINC000253499208

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Available files

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