Vitas-M small molecule compound
(5xi,6alpha,8xi,9beta,16beta,17xi,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-acetyl-beta-D-xylopyranoside
Catalog ID
STL564678
SMILES CC(=O)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)OC1CC[C@]23C(C1(C)C)[C@@H](O)CC1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@@H](C2[C@@]1(C)CC[C@H](O1)C(O)(C)C)O)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 C37H60O10 MW 664.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H60O10/c1-19(38)45-27-26(42)22(41)17-44-30(27)46-24-10-12-37-18-36(37)14-13-33(6)29(35(8)11-9-25(47-35)32(4,5)43)21(40)16-34(33,7)23(36)15-20(39)28(37)31(24,2)3/h20-30,39-43H,9-18H2,1-8H3/t20-,21-,22+,23?,24?,25-,26-,27+,28?,29?,30-,33+,34-,35InChIKey
KILZIJKCZIGLFJ-KFRJDVSMSA-NSynonyms
94443-44-4((2S3R4S5R)2(((1S3R9S12S14S16R)914dihydroxy15((2R5S)5(2hydroxypropan2yl)2methyloxolan2yl)771216tetramethyl6pentacyclo(97001303801216)octadecanyl)oxy)45dihydroxyoxan3yl)acetate
(5xi6alpha8xi9beta16beta17xi24S)61625trihydroxy2024epoxy919cyclolanostan3yl2OacetylbetaDxylopyranoside
139291926
94443444
CC(=O)O(C@H)1(C@@H)(OC(C@H)((C@@H)1O)O)O(C@H)1CC(C@)23C(C1(C)C)(C@@H)(O)C(C@@H)1(C@@)3(C2)CC(C@)2((C@@)1(C)C(C@@H)((C@@H)2(C@@)1(C)CC(C@H)(O1)C(O)(C)C)O)C
CYCLOGALEGINOSIDEA
InChI=1SC37H60O10c119(38)452726(42)22(41)174430(27)46241012371836(37)141333(6)29(35(8)11925(4735)32(45)43)21(40)1634(337)23(36)1520(39)28(37)31(242)3h20303943H918H218H3t202122+23?24?252627+28?29?3033+3435+3637+m0s1
ZINC000605848693
ZINC000605848696
Check stock
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