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(10S,13R,17S)-5,14-dihydroxy-13-methyl-3-(((3aR,4R,6R,7aS)-4-methyltetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexan]-6-yl)oxy)-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[ a]phenanthrene-10-carbaldehyde

Catalog ID
STK999434
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)OC1(O2)CCCCC1

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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 C35H50O9 MW 614.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H50O9/c1-21-30-27(43-34(44-30)10-4-3-5-11-34)17-29(41-21)42-23-6-13-32(20-36)25-7-12-31(2)24(22-16-28(37)40-19-22)9-15-35(31,39)26(25)8-14-33(32,38)18-23/h16,20-21,23-27,29-30,38-39H,3-15,17-19H2,1-2H3/t21?,23?,24-,25-,26?,27?,29?,30?,31+,32-,
InChIKey
ZUVIBPJLHNVGBJ-PZUPEFBTSA-N
Synonyms

(9S10S13R17S)514dihydroxy13methyl3(4methylspiro(4677atetrahydro3aH(13)dioxolo(45c)pyran21cyclohexane)6yl)oxy17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC8(O2)CCCCC8
InChI=1SC35H50O9c1213027(4334(4430)104351134)1729(4121)422361332(2036)2571231(2)24(221628(37)401922)91535(3139)26(25)81433(3238)1823h162021232729303839H3151719H212H3t21?23?242526?27?29?30?31+3233?35?m0s1
MFCD32649526
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)OC1(O2)CCCCC1
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)OC1(O2)CCCCC1
ZINC000253531299
ZINC000253531302

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Available files

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