(Q104986286)

English

8-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,8-dihydroxy-3-methyl-5-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one

group of stereoisomers with the chemical formula C₂₇H₄₆O₁₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

610.283670772 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆O₁₅

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canonical SMILES

O=C1CC2C(CC(CCC2(O)COC3(OC(CO)C(O)C3O)CO)C(OC4OC(CO)C(O)C(O)C4O)(C)C)C1(O)C

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Identifiers

InChI

InChI=1S/C27H46O15/c1-24(2,42-23-21(35)20(34)18(32)15(8-28)40-23)12-4-5-26(38,14-7-17(31)25(3,37)13(14)6-12)11-39-27(10-30)22(36)19(33)16(9-29)41-27/h12-16,18-23,28-30,32-38H,4-11H2,1-3H3

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InChIKey

DOVPOPWCZBPBQQ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DOVPOPWCZBPBQQ-UHFFFAOYSA-N

(Q104986286)

8-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,8-dihydroxy-3-methyl-5-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one

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