Vitas-M small molecule compound

(3alpha,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-spirostan-3-yl octanoate

Catalog ID
STL525050
SMILES CCCCCCCC(=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 C35H58O4 MW 542.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H58O4/c1-6-7-8-9-10-11-31(36)38-26-15-17-33(4)25(20-26)12-13-27-28(33)16-18-34(5)29(27)21-30-32(34)24(3)35(39-30)19-14-23(2)22-37-35/h23-30,32H,6-22H2,1-5H3/t23?,24?,25?,26-,27?,28?,29?,30?,32?,33+,34+,35?/m1/s1
InChIKey
CWJKYZBNMBLVGW-FCAQAMLGSA-N
Synonyms

((9~(S)13~(S)16~(R))57913tetramethylspiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)octanoate
(2aS2R4R5R6aS8aS8bR9S11aS12bR)56a8a9tetramethyldocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4yloctanoate
(3alpha8xi9xi14xi16xi17xi20xi22xi)spirostan3yloctanoate
75366896
CCCCCCCC(=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=1SC35H58O4c16789101131(36)3826151733(4)25(2026)12132728(33)161834(5)29(27)213032(34)24(3)35(3930)191423(2)223735h233032H622H215H3t23?24?25?2627?28?29?30?32?33+34+35?m1s1
MFCD01545051
ZINC000253534179
ZINC000253534182

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Available files

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