(Q27138891)

CHEBI:70560 (English)

(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

1 reference

CHEBI:70560 (English)

7 October 2016

canonical SMILES

CC(C)C1=C(C=C2C(=C1)CCC3C24CCCC3(COC4O)C)O

1 reference

CHEBI:70560 (English)

7 October 2016

isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@]24CCC[C@@]3(CO[C@H]4O)C)O

1 reference

Abietane and C20-norabietane diterpenes from the stem bark of Fraxinus sieboldiana and their biological activities

CHEBI:70560 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18+,19+,20-/m0/s1

1 reference

CHEBI:70560 (English)

QVGFDWPRYXYPGU-NMLBUPMWSA-N

7 October 2016

InChIKey

2 references

CHEBI:70560 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(20R)-18,20-Epoxyabieta-8,11,13-triene-12,20-diol (English)

7 October 2016

2 references

CHEBI:70560 (English)

matched by identifier from

7 October 2016

InChIKey

QVGFDWPRYXYPGU-NMLBUPMWSA-N

Reaxys registry number

21097470

1 reference

(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (English)

7 October 2016

ChEBI ID

70560

mapping relation type

2 references

(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3)7-4-8-20(17,18(22)23-11-19)15(13)10-16(14)21/h9-10,12,17-18,21-22H,4-8,11H2,1-3H3/t17-,18+,19+,20-/m0/s1

1 reference