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(8xi,14xi,17alpha)-3-{[2,6-dideoxy-3,4-O-(1-methylpropylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

Catalog ID
STL003168
SMILES O=C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1OC(C)C2C(C1)OC(O2)(C)CC

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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 C33H48O9 MW 588.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48O9/c1-5-30(4)41-25-15-27(39-19(2)28(25)42-30)40-21-6-11-31(18-34)23-7-10-29(3)22(20-14-26(35)38-17-20)9-13-33(29,37)24(23)8-12-32(31,36)16-21/h14,18-19,21-25,27-28,36-37H,5-13,15-17H2,1-4H3/t19?,21?,22-,23-,24?,25?,27?,28?,29+,30?,31-,32?,3
InChIKey
AREVVFYJJNACSQ-NODYSHSSSA-N
Synonyms

(3S5S8R9S10S13R14S17R)3(((2S3aR4R6R7aS)2ethyl24dimethyltetrahydro3aH(13)dioxolo(45c)pyran6yl)oxy)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi14xi17alpha)3((26dideoxy34O(1methylpropylidene)hexopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
(9S10S13R17S)3((2ethyl24dimethyl4677atetrahydro3aH(13)dioxolo(45c)pyran6yl)oxy)514dihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
CCC1(OC2CC(OC(C2O1)C)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)C
InChI=1SC33H48O9c1530(4)41251527(3919(2)28(25)4230)402161131(1834)2371029(3)22(201426(35)381720)91333(2937)24(23)81232(3136)1621h141819212527283637H5131517H214H3t19?21?222324?25?27?28?29+30?3132?33?m0s1
MFCD03662208
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)OC1OC(C)C2C(C1)OC(O2)(C)CC
O=C(C@@)12CCC(CC2(O)CCC2(C@@H)1CC(C@)1(C2(O)CC(C@H)1C1=CC(=O)OC1)C)OC1OC(C)C2C(C1)OC(O2)(C)CC
ZINC000253531283
ZINC000253531286

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Available files

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