(Q105184514)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4aR,5'R,6R,8aR)-6-hydroxy-2,5,5,5',8a-pentamethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₄

0 references

canonical SMILES

O=C(O)CC1(OC2(C(=CCC3C(C)(C)C(O)CCC32C)C)CC1)C

0 references

isomeric SMILES

CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2

0 references

found in taxon

Grindelia integrifolia

1 reference

stated in

Manoyl oxide alpha-arabinopyranoside and grindelic acid diterpenoids from Grindelia integrifolia

Identifiers

InChI

InChI=1S/C20H32O4/c1-13-6-7-14-17(2,3)15(21)8-9-19(14,5)20(13)11-10-18(4,24-20)12-16(22)23/h6,14-15,21H,7-12H2,1-5H3,(H,22,23)/t14-,15+,18-,19+,20-/m1/s1

0 references

InChIKey

NRFUGXICRLTIFH-RNEXODBNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NRFUGXICRLTIFH-RNEXODBNSA-N

(Q105184514)

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

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Identifiers

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