(Q104971107)

English

butyl 3,4,5-trihydroxy-6-[[10-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylate

group of stereoisomers with the chemical formula C₄₆H₇₄O₁₆

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instance of

group of stereoisomers

0 references

subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

882.4976862880005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₄O₁₆

0 references

canonical SMILES

O=C(OCCCC)C1OC(OC2CCC3(C)C4CC=C5C6C(C)C(C)C(O)CC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)CO)C(O)C(O)C1O

0 references

Identifiers

InChI

InChI=1S/C46H74O16/c1-8-9-18-58-38(56)37-34(53)33(52)36(55)40(61-37)60-29-13-14-42(4)27(43(29,5)21-48)12-15-45(7)28(42)11-10-24-30-23(3)22(2)25(49)19-46(30,17-16-44(24,45)6)41(57)62-39-35(54)32(51)31(50)26(20-47)59-39/h10,22-23,25-37,39-40,47-55H,8-9,11-21H2,1-7H3

0 references

InChIKey

CVZPKUIWIBGEJB-UHFFFAOYSA-N

0 references

PubChem CID

163023725

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CVZPKUIWIBGEJB-UHFFFAOYSA-N

(Q104971107)

butyl 3,4,5-trihydroxy-6-[[10-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylate

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Identifiers

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