(Q27163520)

BSPBio_001530 (English)

9 October 2016

chemical formula

C₂₁H₂₈O₄

1 reference

BSPBio_001530 (English)

9 October 2016

canonical SMILES

CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C(=O)O)C(=C1)O

1 reference

BSPBio_001530 (English)

9 October 2016

isomeric SMILES

CCCCCC1=CC2=C(C3C=C(CC[C@H]3C(O2)(C)C)C(=O)O)C(=C1)O

1 reference

BSPBio_001530 (English)

InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15?,16-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BSPBio_001530 (English)

YOVRGSHRZRJTLZ-OEMAIJDKSA-N

9 October 2016

InChIKey

2 references

BSPBio_001530 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6aR)-1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid (English)

9 October 2016

1 reference

BSPBio_001530 (English)

9 October 2016

ChEBI ID

91699

mapping relation type

1 reference