Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi,16xi,17xi)-12-oxospirostan-3-yl butanoate

Catalog ID
STL525946
SMILES CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC(=O)[C@]2(C1CC1C2[C@H](C)[C@]2(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 C31H48O5 MW 500.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H48O5/c1-6-7-27(33)35-21-11-12-29(4)20(14-21)8-9-22-23(29)16-26(32)30(5)24(22)15-25-28(30)19(3)31(36-25)13-10-18(2)17-34-31/h18-25,28H,6-17H2,1-5H3/t18?,19-,20-,21?,22?,23?,24?,25?,28?,29-,30+,31+/m0/s1
InChIKey
BCXMLUBCPDRBNJ-YHJMABQJSA-N
Synonyms

((6~(R)7~(S)9~(S)13~(S)18~(S))57913tetramethyl10oxospiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)butanoate
(2aS2R4R5R6aS6bS8aS8bR9S11aS12aS12bR)56a8a9tetramethyl8oxodocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4ylbutyrate
(5alpha8xi9xi14xi16xi17xi)12oxospirostan3ylbutanoate
44667315
CCCC(=O)O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(=O)(C@)2((C@H)1C(C@H)1(C@@H)2(C@H)(C)(C@)2(O1)CC(C@H)(CO2)C)C)C
InChI=1SC31H48O5c16727(33)3521111229(4)20(1421)892223(29)1626(32)30(5)24(22)152528(30)19(3)31(3625)131018(2)173431h182528H617H215H3t18?192021?22?23?24?25?28?2930+31+m0s1
MFCD02057203
ZINC000253501611
ZINC000253501621

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Available files

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