Vitas-M small molecule compound

(3R,8R,10R,12R,14R,17S)-17-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diyl diacetate

Catalog ID
STL528626
SMILES CC(=O)O[C@@H]1CC2[C@@]3(C)CC[C@H](C(C3CC[C@]2([C@]2(C1[C@H](CC2)[C@@]1(C)CC[C@H](O1)C(O)(C)C)C)C)(C)C)OC(=O)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 C34H56O6 MW 560.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H56O6/c1-20(35)38-23-19-25-31(7)15-13-26(39-21(2)36)29(3,4)24(31)12-17-32(25,8)33(9)16-11-22(28(23)33)34(10)18-14-27(40-34)30(5,6)37/h22-28,37H,11-19H2,1-10H3/t22-,23+,24?,25?,26+,27-,28?,31-,32+,33+,34+/m0/s1
InChIKey
MRCMHQPBXBYCBW-PIJXRHIPSA-N
Synonyms

((3~(R)8~(R)10~(R)12~(R)14~(R)17~(S))12acetyloxy17((2~(R)5~(S))5(2hydroxypropan2yl)2methyloxolan2yl)4481014pentamethyl235679111213151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(3R5R8R10R12S14R17S)17((2S5R)5(2hydroxypropan2yl)2methyltetrahydrofuran2yl)4481014pentamethylhexadecahydro1Hcyclopenta(a)phenanthrene312diyldiacetate
16406312
CC(=O)O(C@H)1CC2(C@@)3(C)CC(C@H)(C((C@@H)3CC(C@)2((C@)2(C1(C@H)(CC2)(C@)1(C)CC(C@@H)(O1)C(O)(C)C)C)C)(C)C)OC(=O)C
InChI=1SC34H56O6c120(35)3823192531(7)151326(3921(2)36)29(34)24(31)121732(258)33(9)161122(28(23)33)34(10)181427(4034)30(56)37h222837H1119H2110H3t2223+24?25?26+2728?3132+33+34+m0s1
ZINC000070707563
ZINC000253505821

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.