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(1S,3aS,5aR,6aR,9aS,10aR,10bR,12aR)-3a-hydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8,8,10a,12a-tetramethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one

Catalog ID
STL564930
SMILES O=C1C=C2[C@@H]([C@@]3([C@H]1C[C@H]1OC(O[C@H]1C3)(C)C)C)CC[C@]1([C@@]2(O)CC[C@@H]1[C@@]1(C)OC(O[C@@H]1CCC(O)(C)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 C33H52O7 MW 560.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30+,31+,32+,33+/m0/s1
InChIKey
WXFMGCVRGSIXOB-APTIWFLNSA-N
Synonyms
22798-98-7
(1R2R4S8R10R14S17S18R)14hydroxy17((4R5R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)26618tetramethyl57dioxapentacyclo(1170021004801418)icos12en11one
(1S3aS5aR6aR9aS10aR10bR12aR)3ahydroxy1((4R5R)5(3hydroxy3methylbutyl)224trimethyl13dioxolan4yl)8810a12atetramethyl1233a5a66a9a1010a10b111212atetradecahydro5Hcyclopenta(78)phenanthro(23d)(13)dioxol5one
11082278
22798987
InChI=1SC33H52O7c127(235)13122632(94029(56)3926)25111533(36)201622(34)21172324(3828(34)3723)1830(217)19(20)101431(2533)8h16192123263536H10151718H219H3t192123+242526+30+31+32+33+m0s1
MFCD06198790
O=C1C=C2(C@@H)((C@@)3((C@H)1C(C@H)1OC(O(C@H)1C3)(C)C)C)CC(C@)1((C@@)2(O)CC(C@@H)1(C@@)1(C)OC(O(C@@H)1CCC(O)(C)C)(C)C)C
ZINC000070672387

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Available files

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