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Vitas-M small molecule compound

(5xi,9xi,18xi)-3-[(2,6-dideoxyhexopyranosyl)oxy]-11-oxoolean-12-en-30-oic acid

Catalog ID
STL565409
SMILES OC1CC(OC(C1O)C)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2C(=O)C=C2[C@@]1(C)CC[C@@]1(C2C[C@](C)(CC1)C(=O)O)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 C36H56O7 MW 600.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H56O7/c1-20-28(39)23(37)18-27(42-20)43-26-10-11-34(6)25(31(26,2)3)9-12-36(8)29(34)24(38)17-21-22-19-33(5,30(40)41)14-13-32(22,4)15-16-35(21,36)7/h17,20,22-23,25-29,37,39H,9-16,18-19H2,1-8H3,(H,40,41)/t20?,22?,23?,25?,26?,27?,28?,29?,32-,33+,34
InChIKey
FMRFCBBDHDGKKZ-INEBCQMJSA-N
Synonyms

(2S4aS6aS6bR12aS)10(((2R4S5R6S)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)24a6a6b9912aheptamethyl13oxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylicacid
(2S4aS6aS6bR12aS)10(45dihydroxy6methyloxan2yl)oxy24a6a6b9912aheptamethyl13oxo34566a788a10111214bdodecahydro1Hpicene2carboxylicacid
(5xi9xi18xi)3((26dideoxyhexopyranosyl)oxy)11oxoolean12en30oicacid
44661812
InChI=1SC36H56O7c12028(39)23(37)1827(4220)4326101134(6)25(31(262)3)91236(8)29(34)24(38)1721221933(530(40)41)141332(224)151635(2136)7h1720222325293739H9161819H218H3(H4041)t20?22?23?25?26?27?28?29?3233+34+3536m1s1
OC1CC(OC(C1O)C)OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2C(=O)C=C2(C@@)1(C)CC(C@@)1(C2C(C@)(C)(CC1)C(=O)O)C)C)C
ZINC000253487125
ZINC000253487128

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Available files

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