Vitas-M small molecule compound
(3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl 4-methoxybenzoate
Catalog ID
STL525085
SMILES COc1ccc(cc1)C(=O)O[C@@H]1CC[C@]2(C(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 C35H50O5 MW 550.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H50O5/c1-21-12-17-35(38-20-21)22(2)31-30(40-35)19-29-27-11-8-24-18-26(39-32(36)23-6-9-25(37-5)10-7-23)13-15-33(24,3)28(27)14-16-34(29,31)4/h6-7,9-10,21-22,24,26-31H,8,11-20H2,1-5H3/t21?,22?,24?,26-,27?,28?,29?,30?,31?,33+,34+,35?/m1/s1InChIKey
HSPBTZRUYDLHGR-ZPOBDZIKSA-NSynonyms
((9~(S)13~(S)16~(R))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)4methoxybenzoate
(2aS2R4R5R6aS8aS8bR9S11aS12bR)56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4yl4methoxybenzoate
(3alpha8xi9xi14xi16xi17xi20xi22xi)spirostan3yl4methoxybenzoate
135639015
COc1ccc(cc1)C(=O)O(C@@H)1CC(C@)2((C@H)(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=1SC35H50O5c121121735(382021)22(2)3130(4035)192927118241826(3932(36)236925(375)10723)131533(243)28(27)141634(2931)4h679102122242631H81120H215H3t21?22?24?2627?28?29?30?31?33+34+35?m1s1
MFCD01547885
ZINC001772491580
ZINC001772491583
Check stock
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Check stock on Vitas-MAvailable files
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