Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl hexanoate
Catalog ID
STL524609
SMILES CCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CO2)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 C33H54O4 MW 514.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H54O4/c1-6-7-8-9-29(34)36-24-13-15-31(4)23(18-24)10-11-25-26(31)14-16-32(5)27(25)19-28-30(32)22(3)33(37-28)17-12-21(2)20-35-33/h21-28,30H,6-20H2,1-5H3/t21?,22?,23-,24?,25?,26?,27?,28?,30?,31-,32-,33?/m0/s1InChIKey
XVUZJGXQVYKZCA-JYSJXTRFSA-NSynonyms
((9~(S)13~(S)18~(S))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)hexanoate
(2R4R5R6aS8aS8bR9S11aS12bR)56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4ylhexanoate
(5alpha8xi9xi14xi16xi17xi20xi22xi)spirostan3ylhexanoate
44667924
CCCCCC(=O)O(C@@H)1CC(C@)2(C(C1)CC(C@@H)1C2CC(C@)2(C1C(C@H)1(C@@H)2(C@H)(C)(C@)2(O1)CC(C@H)(CO2)C)C)C
InChI=1SC33H54O4c1678929(34)3624131531(4)23(1824)10112526(31)141632(5)27(25)192830(32)22(3)33(3728)171221(2)203533h212830H620H215H3t21?22?2324?25?26?27?28?30?313233?m0s1
MFCD01881250
ZINC000252347128
ZINC000253498227
Check stock
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Check stock on Vitas-MAvailable files
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