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4-{(5R)-5-[(3aS,5aR,6aR,9aS,10aR,12aR)-3a-hydroxy-8,8,10a,12a-tetramethyl-5-oxo-2,3,3a,5,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-1-yl]-2,2,5-trimethyl-1,3-dioxolan-4-yl}-2-methylbutan-2-yl acetate

Catalog ID
STL528749
SMILES CC(=O)OC(CCC1OC(O[C@]1(C)C1CC[C@@]2([C@]1(C)CCC1C2=CC(=O)[C@H]2[C@]1(C)C[C@@H]1OC(O[C@@H]1C2)(C)C)O)(C)C)(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 C35H54O8 MW 602.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H54O8/c1-20(36)39-29(2,3)14-13-28-34(10,43-31(6,7)42-28)27-12-16-35(38)22-17-24(37)23-18-25-26(41-30(4,5)40-25)19-32(23,8)21(22)11-15-33(27,35)9/h17,21,23,25-28,38H,11-16,18-19H2,1-10H3/t21?,23-,25+,26-,27?,28?,32+,33+,34+,35+/m0/s1
InChIKey
YLLWVNGLWTVDBS-XFVLVHGCSA-N
Synonyms

(4((5~(R))5((2~(R)4~(S)8~(R)10~(R)14~(S)18~(R))14hydroxy26618tetramethyl11oxo57dioxapentacyclo(11700^(210)0^(48)0^(1418))icos12en17yl)225trimethyl13dioxolan4yl)2methylbutan2yl)acetate
16405236
4((5R)5((3aS5aR6aR9aS10aR12aR)3ahydroxy8810a12atetramethyl5oxo233a55a66a9a1010a10b111212atetradecahydro1Hcyclopenta(78)phenanthro(23d)(13)dioxol1yl)225trimethyl13dioxolan4yl)2methylbutan2ylacetate
CC(=O)OC(CCC1OC(O(C@)1(C)C1CC(C@@)2((C@)1(C)CCC1C2=CC(=O)(C@H)2(C@)1(C)C(C@@H)1OC(O(C@@H)1C2)(C)C)O)(C)C)(C)C
InChI=1SC35H54O8c120(36)3929(23)14132834(104331(67)4228)27121635(38)221724(37)23182526(4130(45)4025)1932(238)21(22)111533(2735)9h172123252838H11161819H2110H3t21?2325+2627?28?32+33+34+35+m0s1
MFCD05727628
THYL13DIOXOLAN4YL)2METHYLBUTAN2YLACETATE
ZINC000070701527
ZINC000254635239

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Available files

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