3-hydroxylabda-8(20),13-dien-15-oic acid (Q27138312)

CHEBI:69967 (English)

7 October 2016

chemical formula

C₂₀H₃₂O₃

1 reference

CHEBI:69967 (English)

7 October 2016

canonical SMILES

CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C

1 reference

CHEBI:69967 (English)

7 October 2016

isomeric SMILES

C/C(=C\C(=O)O)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC(C2(C)C)O)C

1 reference

CHEBI:69967 (English)

InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17?,20+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:69967 (English)

LNWOKEZJIRLIDO-JDWPPCOPSA-N

7 October 2016

InChIKey

2 references

CHEBI:69967 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E)-5-[(1S,4aR,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid (English)

7 October 2016

2 references

CHEBI:69967 (English)

matched by identifier from

7 October 2016

InChIKey

LNWOKEZJIRLIDO-JDWPPCOPSA-N

ChEBI ID

69967

mapping relation type

2 references

3-hydroxylabda-8(20),13-dien-15-oic acid (English)