Vitas-M small molecule compound

(4aS,5aR,7aR)-10-hydroxy-1,1,7a,9,12a-pentamethyl-2-(beta-D-xylopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-yl beta-D-glucopyranoside

Catalog ID
STL525385
SMILES OC[C@H]1O[C@@H](OC2CC3C(C)(C)C(CC[C@]43[C@@]3(C2C2(C)CC5C([C@@]2(C)CC3)CC(C(O5)O)C)C4)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

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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 C37H60O13 MW 712.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H60O13/c1-16-10-17-20(47-30(16)45)12-35(5)29-19(48-32-28(44)26(42)25(41)21(13-38)49-32)11-22-33(2,3)23(50-31-27(43)24(40)18(39)14-46-31)6-7-36(22)15-37(29,36)9-8-34(17,35)4/h16-32,38-45H,6-15H2,1-5H3/t16?,17?,18-,19?,20?,21-,22?,23?,24+,25-,26
InChIKey
OYWPKVSPANSZFQ-WZZAEXEHSA-N
Synonyms

(2~(R)3~(S)4~(S)5~(R)6~(R))2(hydroxymethyl)6(((1~(R)4~(R)21~(S))8hydroxy47121717pentamethyl18((2~(S)3~(R)4~(S)5~(R))345trihydroxyoxan2yl)oxy9oxahexacyclo(11900^(121)0^(412)0^(510)0^(1621))docosan14yl)oxy)oxane345triol
(4aS5aR7aR)10hydroxy117a912apentamethyl2(betaDxylopyranosyloxy)octadecahydrocyclopropa(18a)naphtho(2145)indeno(21b)pyran13ylbetaDglucopyranoside
44661006
InChI=1SC37H60O13c116101720(4730(16)45)1235(5)2919(483228(44)26(42)25(41)21(1338)4932)112233(23)23(503127(43)24(40)18(39)144631)6736(22)1537(2936)9834(1735)4h16323845H615H215H3t16?17?1819?20?2122?23?24+2526+272829?30?31+323435?36+37m1s1
MFCD01547884
OC(C@H)1OC(O(C@@H)2C(C@H)3C(C)(C)(C@H)(CC(C@@)43(C@)3(C2(C@)2(C)C(C@H)5(C@@H)((C@@)2(C)CC3)C(C@@H)((C@@H)(O5)O)C)C4)OC2OC(C@H)((C@@H)((C@H)2O)O)O)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000253522733
ZINC000253522736

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Available files

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