3-acetoxylabda-8(20),13-dien-15-oic acid (Q27138313)

CHEBI:69968 (English)

7 October 2016

chemical formula

C₂₂H₃₄O₄

1 reference

CHEBI:69968 (English)

7 October 2016

canonical SMILES

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

1 reference

CHEBI:69968 (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)OC(=O)C)C

1 reference

CHEBI:69968 (English)

InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19?,22+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:69968 (English)

OMNJRQNCWHCCBZ-CJPMWSEESA-N

7 October 2016

InChIKey

2 references

CHEBI:69968 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

1 reference

CHEBI:69968 (English)

7 October 2016

ChEBI ID

69968

mapping relation type

2 references

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