ballodiolic acid (Q27133905)

Ballodiolic acid (English)

7 October 2016

chemical formula

C₂₀H₃₄O₄

1 reference

Ballodiolic acid (English)

7 October 2016

canonical SMILES

CC1CCC2(C(C1(C)CCC(CCO)CO)CCC=C2C(=O)O)C

1 reference

Ballodiolic acid (English)

7 October 2016

isomeric SMILES

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

1 reference

Two new diterpenoids from Ballota limbata.

Ballodiolic acid (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H34O4/c1-14-7-10-20(3)16(18(23)24)5-4-6-17(20)19(14,2)11-8-15(13-22)9-12-21/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24)/t14-,15?,17-,19+,20+/m1/s1

1 reference

Ballodiolic acid (English)

BIRYTQFFNQPJBQ-UXWDVIHESA-N

7 October 2016

InChIKey

2 references

Ballodiolic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4aR,5S,6R,8aR)-5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid (English)

7 October 2016

1 reference

(4aR,5S,6R,8aR)-5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid (English)

7 October 2016

2 references

Ballodiolic acid (English)

matched by identifier from

7 October 2016

InChIKey

BIRYTQFFNQPJBQ-UXWDVIHESA-N

Reaxys registry number

9805708

1 reference

ballodiolic acid (English)

7 October 2016

ChEBI ID

65463

mapping relation type

2 references

ballodiolic acid (English)