(Q104973507)

English

[6-Acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methylbutanoyloxy)-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] 6-methylheptanoate

group of stereoisomers with the chemical formula C₃₅H₅₂O₁₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

664.345877104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₁₂

0 references

canonical SMILES

O=C(OC1C(=C2C3OC(=O)C(O)(C)C3(O)C(OC(=O)C(C)CC)CC(OC(=O)C)(C)C2C1OC(=O)CCCCC(C)C)C)C(=CC)C

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found in taxon

Thapsia villosa

1 reference

stated in

(8R,14S)-8-angeloyloxythapsan-14-ol, a sesquiterpene with a novel carbon skeleton, from Thapsia villosa

Identifiers

InChI

InChI=1S/C35H52O12/c1-11-19(5)30(38)43-23-17-33(9,47-22(8)36)26-25(29-35(23,42)34(10,41)32(40)46-29)21(7)27(45-31(39)20(6)12-2)28(26)44-24(37)16-14-13-15-18(3)4/h12,18-19,23,26-29,41-42H,11,13-17H2,1-10H3

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InChIKey

DAFJVTNMXBYZGI-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DAFJVTNMXBYZGI-UHFFFAOYSA-N

(Q104973507)

[6-Acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methylbutanoyloxy)-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] 6-methylheptanoate

Statements

Identifiers

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