(Q105290765)

English

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-2H-picene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₆H₅₆O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

648.387347992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₆O₁₀

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CC(=O)C(O)C(C)(C)C6CCC5(C)C4(C)CC2

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found in taxon

Sanguisorba tenuifolia

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stated in

Triterpenoids from the roots of Sanguisorba tenuifolia var. Alba.

Sanguisorba tenuifolia var. alba

1 reference

stated in

Triterpenoids from the roots of Sanguisorba tenuifolia var. Alba.

Identifiers

InChI

InChI=1S/C36H56O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,21-29,37,39-42,44H,9-17H2,1-7H3

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InChIKey

VPFWQOBPXAGHDW-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VPFWQOBPXAGHDW-UHFFFAOYSA-N

(Q105290765)

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-2H-picene-4a-carboxylate

Statements

Identifiers

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