Vitas-M small molecule compound

(5xi,6beta,8xi,9beta,16beta,17xi,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl pentopyranoside

Catalog ID
STL565965
SMILES OC1C(O)COC(C1O)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 C35H58O9 MW 622.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H58O9/c1-29(2)22(43-28-25(40)24(39)20(38)16-42-28)9-11-35-17-34(35)13-12-31(5)27(33(7)10-8-23(44-33)30(3,4)41)19(37)15-32(31,6)21(34)14-18(36)26(29)35/h18-28,36-41H,8-17H2,1-7H3/t18-,19+,20?,21?,22?,23+,24?,25?,26?,27?,28?,31-,32+,33-,34+,35-/
InChIKey
VXHVFDQYSSFKAR-RVHXCRSPSA-N
Synonyms

(2R3R4R5R)2(((2aR4S5aS7R11aR12aS)47dihydroxy3((2R5S)5(2hydroxypropan2yl)2methyltetrahydrofuran2yl)2a5a88tetramethylhexadecahydrocyclopenta(a)cyclopropa(e)phenanthren9yl)oxy)tetrahydro2Hpyran345triol
(5xi6beta8xi9beta16beta17xi24S)61625trihydroxy2024epoxy919cyclolanostan3ylpentopyranoside
131664868
2(((1S3R9R12S14S16R)914dihydroxy15((2R5S)5(2hydroxypropan2yl)2methyloxolan2yl)771216tetramethyl6pentacyclo(97001303801216)octadecanyl)oxy)oxane345triol
InChI=1SC35H58O9c129(2)22(432825(40)24(39)20(38)164228)911351734(35)131231(5)27(33(7)10823(4433)30(34)41)19(37)1532(316)21(34)1418(36)26(29)35h18283641H817H217H3t1819+20?21?22?23+24?25?26?27?28?3132+3334+35m1s1
OC1C(O)COC(C1O)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
ZINC000253530373
ZINC000263586578

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Available files

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