(Q105191478)

English

(3R)-5-[(1S,4aS,6S,7R,8aR)-6,7-dihydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(6,7-dihydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

338.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R)-5-[(1R,4aS,6R,7S,8aS)-6,7-dihydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S)-5-[(1S,4aS,6S,7R,8aR)-6,7-dihydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from InChI

(3S)-5-[(1S,4aR,6S,7R,8aS)-6,7-dihydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₄

0 references

canonical SMILES

O=C(O)CC(C)CCC1C(=CCC2C(C)(C)C(O)C(O)CC12C)C

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isomeric SMILES

CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O

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found in taxon

Baccharis scandens

1 reference

stated in

2α,3α-Dihydroxycativic acid, a diterpenoid from Baccharis petiolata

Identifiers

InChI

InChI=1S/C20H34O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h7,12,14-16,18,21,24H,6,8-11H2,1-5H3,(H,22,23)/t12-,14+,15-,16-,18-,20-/m1/s1

0 references

InChIKey

OFZLWKQJQGKQGV-BNFFSSTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OFZLWKQJQGKQGV-BNFFSSTCSA-N

(Q105191478)

(3R)-5-[(1S,4aS,6S,7R,8aR)-6,7-dihydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

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Identifiers

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