(Q104961883)

English

2-[(2'R,4aS,5S,8S,8aS)-5-hydroxy-2',4,4,8a-tetramethyl-7-[[(2R)-2-methylbutanoyl]oxymethyl]spiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[5-hydroxy-2',4,4,8a-tetramethyl-7-(2-methylbutanoyloxymethyl)spiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

436.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₆

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canonical SMILES

O=C(O)CC1(OC2(C(=CC(O)C3C(C)(C)CCCC32C)COC(=O)C(C)CC)CC1)C

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isomeric SMILES

CC[C@@H](C)C(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2

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found in taxon

Grindelia hirsutula

1 reference

stated in

Five grindelane diterpenoids from Grindelia acutifolia

Identifiers

InChI

InChI=1S/C25H40O6/c1-7-16(2)21(29)30-15-17-13-18(26)20-22(3,4)9-8-10-24(20,6)25(17)12-11-23(5,31-25)14-19(27)28/h13,16,18,20,26H,7-12,14-15H2,1-6H3,(H,27,28)/t16-,18+,20+,23-,24+,25-/m1/s1

0 references

InChIKey

CJYAEQQZLNLEII-QRRNQCHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJYAEQQZLNLEII-QRRNQCHASA-N

(Q104961883)

2-[(2'R,4aS,5S,8S,8aS)-5-hydroxy-2',4,4,8a-tetramethyl-7-[[(2R)-2-methylbutanoyl]oxymethyl]spiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

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