(Q105002928)

English

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

1 reference

based on heuristic

inferred from SMILES

5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(8alpha,9S,10beta)-19-Hydroxycleroda-3-ene-15-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

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canonical SMILES

O=C(O)CC(C)CCC1(C)C(C)CCC2(C(=CCCC21)CO)C

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isomeric SMILES

C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]12)CC(=O)O

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found in taxon

Oedera corymbosa

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania corymbosa

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Oedera genistifolia

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Oedera calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C20H34O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,14-15,17,21H,5,7-13H2,1-4H3,(H,22,23)/t14-,15-,17-,19+,20+/m1/s1

0 references

InChIKey

FVXAJZRADGVLQM-CTZQRVGRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVXAJZRADGVLQM-CTZQRVGRSA-N

1 reference

(Q105002928)

(3R)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

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