(Q27138893)

CHEBI:70562 (English)

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

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₃

1 reference

CHEBI:70562 (English)

7 October 2016

canonical SMILES

CC(C)C1=C(C=C2C(=C1)CCC3C24CCCC3(COC4OC)C)O

1 reference

CHEBI:70562 (English)

7 October 2016

isomeric SMILES

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

1 reference

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

CHEBI:70562 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19+,20+,21-/m0/s1

1 reference

CHEBI:70562 (English)

UBQQOJDZHPQINO-BQJUDKOJSA-N

7 October 2016

InChIKey

2 references

CHEBI:70562 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(20R)-20-Methoxy-18,20-epoxyabieta-8,11,13-trien-12-ol (English)

7 October 2016

2 references

CHEBI:70562 (English)

matched by identifier from

7 October 2016

InChIKey

UBQQOJDZHPQINO-BQJUDKOJSA-N

Reaxys registry number

21097465

1 reference

(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde18,20-methyl acetal (English)

7 October 2016

ChEBI ID

70562

mapping relation type

2 references

(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde18,20-methyl acetal (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19+,20+,21-/m0/s1

1 reference