Vitas-M small molecule compound
4-oxo-4-[(5alpha,8xi,9xi,14xi,16xi,17xi)-spirostan-3-yloxy]butanoic acid
Catalog ID
STL525294
SMILES CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CCC(C3)OC(=O)CCC(=O)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 C31H48O6 MW 516.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H48O6/c1-18-9-14-31(35-17-18)19(2)28-25(37-31)16-24-22-6-5-20-15-21(36-27(34)8-7-26(32)33)10-12-29(20,3)23(22)11-13-30(24,28)4/h18-25,28H,5-17H2,1-4H3,(H,32,33)/t18?,19-,20-,21?,22?,23?,24?,25?,28?,29-,30-,31+/m0/s1InChIKey
USAGUHVRZVSMQL-QBQFCMNDSA-NSynonyms
135639042
4oxo4(((2aS2R4R5R6aS6bS8aS8bR9S11aS12aS12bR)56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4yl)oxy)butanoicacid
4oxo4((5alpha8xi9xi14xi16xi17xi)spirostan3yloxy)butanoicacid
4oxo4((6~(R)7~(S)9~(S)13~(S)18~(S))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)oxybutanoicacid
C(C@@H)1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2((C@@H)(C1)(C@@H)1CC(C@@H)3(C@)((C@H)1CC2)(C)CC(C@H)(C3)OC(=O)CCC(=O)O)C
InChI=1SC31H48O6c11891431(351718)19(2)2825(3731)16242265201521(3627(34)8726(32)33)101229(203)23(22)111330(2428)4h182528H517H214H3(H3233)t18?192021?22?23?24?25?28?293031+m0s1
MFCD02058019
ZINC001772491679
ZINC001772491682
Check stock
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Check stock on Vitas-MAvailable files
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