(1S,4aS)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxaldehyde (Q27163557)

KBio2_003778 (English)

9 October 2016

chemical formula

C₂₀H₂₈O₂

1 reference

KBio2_003778 (English)

9 October 2016

canonical SMILES

CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C=O)C)O

1 reference

KBio2_003778 (English)

9 October 2016

isomeric SMILES

CC(C)C1=C(C=CC2=C1CCC3[C@@]2(CCC[C@]3(C)C=O)C)O

1 reference

KBio2_003778 (English)

InChI=1S/C20H28O2/c1-13(2)18-14-6-9-17-19(3,12-21)10-5-11-20(17,4)15(14)7-8-16(18)22/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t17?,19-,20-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

KBio2_003778 (English)

QMRLEXVAVRHWSE-IPNZSQQUSA-N

9 October 2016

InChIKey

2 references

KBio2_003778 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5xi)-13-Hydroxy-14-isopropylpodocarpa-8,11,13-trien-16-al (English)

9 October 2016

2 references

KBio2_003778 (English)

matched by identifier from

9 October 2016

InChIKey

QMRLEXVAVRHWSE-IPNZSQQUSA-N

ChEBI ID

91748

mapping relation type

2 references

(1S,4aS)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxaldehyde (English)