ballotenic acid (Q27133904)

Ballotenic acid (English)

7 October 2016

chemical formula

C₂₀H₃₀O₄

1 reference

Ballotenic acid (English)

7 October 2016

canonical SMILES

CC1CCC2(C(C1(C)CCC3CCOC3=O)CCC=C2C(=O)O)C

1 reference

Ballotenic acid (English)

7 October 2016

isomeric SMILES

C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3CCOC3=O)CCC=C2C(=O)O)C

1 reference

Two new diterpenoids from Ballota limbata.

Ballotenic acid (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H30O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)/t13-,14?,16-,19+,20+/m1/s1

1 reference

Ballotenic acid (English)

KLTOIXCFCZRIFD-BBOKRCSFSA-N

7 October 2016

InChIKey

2 references

Ballotenic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4aR,5S,6R,8aR)-5,6,8a-Trimethyl-5-[2-(2-oxotetrahydro-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid (English)

7 October 2016

1 reference

(4aR,5S,6R,8aR)-5,6,8a-Trimethyl-5-[2-(2-oxotetrahydro-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid (English)

7 October 2016

2 references

Ballotenic acid (English)

matched by identifier from

7 October 2016

InChIKey

KLTOIXCFCZRIFD-BBOKRCSFSA-N

Reaxys registry number

9804328

1 reference

ballotenic acid (English)

7 October 2016

ChEBI ID

65462

mapping relation type

2 references

ballotenic acid (English)