(Q105018860)

English

[4,5-Dihydroxy-2-[[11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

group of stereoisomers with the chemical formula C₃₆H₆₂O₁₁S

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

702.4012838040001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₂O₁₁S

0 references

canonical SMILES

O=S(=O)(O)OC1C(OC(CO)C(O)C1O)OC2CCC3(C)C(CCC4(C)C3CCC5C6C(C)C(O)(C)CCC6(CO)CCC54C)C2(C)C

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Identifiers

InChI

InChI=1S/C36H62O11S/c1-20-26-21-8-9-24-32(4)12-11-25(46-30-29(47-48(42,43)44)28(40)27(39)22(18-37)45-30)31(2,3)23(32)10-13-34(24,6)33(21,5)14-16-36(26,19-38)17-15-35(20,7)41/h20-30,37-41H,8-19H2,1-7H3,(H,42,43,44)

0 references

InChIKey

GTJOSBALQPHYFB-UHFFFAOYSA-N

0 references

PubChem CID

162989718

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GTJOSBALQPHYFB-UHFFFAOYSA-N

(Q105018860)

[4,5-Dihydroxy-2-[[11-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

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Identifiers

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