Vitas-M small molecule compound

(3beta,5xi,6alpha,9beta,16beta,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl D-glucopyranoside

Catalog ID
STL565881
SMILES OC[C@H]1OC(O[C@H]2CC[C@]34C(C2(C)C)[C@@H](O)C[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)C[C@@H]([C@@H]3[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[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 C36H60O10 MW 652.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H60O10/c1-30(2)22(45-29-26(42)25(41)24(40)20(16-37)44-29)9-11-36-17-35(36)13-12-32(5)28(34(7)10-8-23(46-34)31(3,4)43)19(39)15-33(32,6)21(35)14-18(38)27(30)36/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27?,28-,29?,32+,33-,3
InChIKey
MDPXIRWVLJUABC-RUQPVMEGSA-N
Synonyms

(3beta5xi6alpha9beta16beta20R24S)61625trihydroxy2024epoxy919cyclolanostan3ylDglucopyranoside
(3R4S5S6R)2(((1S3R6S9S11S12S14S15R16R)914dihydroxy15((2R5S)5(2hydroxypropan2yl)2methyloxolan2yl)771216tetramethyl6pentacyclo(97001303801216)octadecanyl)oxy)6(hydroxymethyl)oxane345triol
44891381
InChI=1SC36H60O10c130(2)22(452926(42)25(41)24(40)20(1637)4429)911361735(36)131232(5)28(34(7)10823(4634)31(34)43)19(39)1533(326)21(35)1418(38)27(30)36h18293743H817H217H3t181920+21222324+2526+27?2829?32+3334+3536+m0s1
MFCD32651754
OC(C@H)1O(C@@H)(O(C@H)2CC(C@)34C(C2(C)C)(C@@H)(O)C(C@@H)2(C@@)4(C3)CC(C@)3((C@@)2(C)C(C@@H)((C@@H)3(C@)2(C)CC(C@@H)(O2)C(O)(C)C)O)C)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000008382334
ZINC000409413019

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Available files

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