Vitas-M small molecule compound
(4aR,6aS,6bS,9aR)-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylic acid
Catalog ID
STL525813
SMILES O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)O)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 C23H30O6 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O6/c1-20(2)28-17-10-15-14-6-5-12-9-13(24)7-8-21(12,3)18(14)16(25)11-22(15,4)23(17,29-20)19(26)27/h7-9,14-18,25H,5-6,10-11H2,1-4H3,(H,26,27)/t14?,15?,16?,17-,18?,21+,22+,23+/m1/s1InChIKey
FRRZIPPXTFWZML-KMAXENBASA-NSynonyms
(4~(R)8~(S)9~(S)13~(R))11hydroxy66913tetramethyl16oxo57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosa1417diene8carboxylicacid
(4aR6aS6bS9aR)5hydroxy4a6a88tetramethyl2oxo24a4b566a9a1010a10b1112dodecahydro6bHnaphtho(2145)indeno(12d)(13)dioxole6bcarboxylicacid
(6aR8aS8bS11aR)7hydroxy6a8a1010tetramethyl4oxo246a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxole8bcarboxylicacid
16396516
InChI=1SC23H30O6c120(2)28171015146512913(24)7821(123)18(14)16(25)1122(154)23(172920)19(26)27h79141825H561011H214H3(H2627)t14?15?16?1718?21+22+23+m1s1
MFCD01881398
O=C1C=C(C@)2(C(=C1)CCC1C2C(O)C(C@)2(C1C(C@@H)1(C@)2(OC(O1)(C)C)C(=O)O)C)C
ZINC000004027535
ZINC000253499374
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.