abietate (Q27116563)

1 February 2021

mass

301.217±0 dalton

1 reference

abieta-7,13-diene-18-oate (English)

6 October 2016

chemical formula

C₂₀H₂₉O₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[O-])C

1 reference

abieta-7,13-diene-18-oate (English)

6 October 2016

isomeric SMILES

CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C

1 reference

abieta-7,13-diene-18-oate (English)

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/p-1/t16-,17+,19+,20+/m0/s1

6 October 2016

Commons category

Abietates

0 references

Identifiers

InChI

1 reference

abieta-7,13-diene-18-oate (English)

RSWGJHLUYNHPMX-ONCXSQPRSA-M

6 October 2016

InChIKey

2 references

abieta-7,13-diene-18-oate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

abietate (English)

6 October 2016

1 reference

abieta-7,13-diene-18-oate (English)

6 October 2016

Gmelin number

385720

0 references

ChEBI ID

35680

mapping relation type

1 reference