Vitas-M small molecule compound

2,5,6-trihydroxyspirostan-3-yl hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside

Catalog ID
STL566003
SMILES OCC1OC(OC2CC3(O)C(O)CC4C(C3(CC2O)C)CCC2(C4CC3C2C(C2(O3)CCC(CO2)C)C)C)C(C(C1OC1OC(CO)C(C(C1OC1OC(CO)C(C(C1O)O)O)OC1OCC(C(C1O)O)O)O)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 C50H82O25 MW 1083.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H82O25/c1-18-5-8-50(67-16-18)19(2)31-25(75-50)10-22-20-9-30(56)49(65)12-26(23(54)11-48(49,4)21(20)6-7-47(22,31)3)68-44-39(64)36(61)40(29(15-53)71-44)72-46-42(74-45-38(63)35(60)33(58)27(13-51)69-45)41(34(59)28(14-52)70-46)73-43-37(62)32(57)24(5
InChIKey
KCCADWFDKXISPG-UHFFFAOYSA-N
Synonyms

16(34dihydroxy5(5hydroxy6(hydroxymethyl)3(345trihydroxy6(hydroxymethyl)oxan2yl)oxy4(345trihydroxyoxan2yl)oxyoxan2yl)oxy6(hydroxymethyl)oxan2yl)oxy57913tetramethylspiro(5oxapentacyclo(108002904801318)icosane62oxane)151819triol
256trihydroxyspirostan3ylhexopyranosyl(1>2)(pentopyranosyl(1>3))hexopyranosyl(1>4)hexopyranoside
256TRIHYDROXYSPIROSTAN3YLHEXOPYRANOSYL(12)(PENTOPYRANOSYL(13))HEXOPYRANOSYL(14)HEXOPYRANOSIDE
75117394
InChI=1SC50H82O25c1185850(671618)19(2)3125(7550)102220930(56)49(65)1226(23(54)1148(494)21(20)6747(2231)3)684439(64)36(61)40(29(1553)7144)724642(744538(63)35(60)33(58)27(1351)6945)41(34(59)28(1452)7046)734337(62)32(57)24(55)176643h18465165H517H214H3
MFCD32651798

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Available files

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