(Q110186258)

English

1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-

chemical compound

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instance of

type of chemical entity

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subclass of

2,4,6-trihydroxy-5-[(1S)-1-[(4S)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-octahydronaphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde

1 reference

1 reference

490.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-[(1R)-1-[(1R,4S,4aS,6S,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

5-[(1S)-1-[(1R,4S,4aS,6S,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₇

0 references

canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2CCC(O)(C)C3CC(CCC23C)C(O)(C)C

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isomeric SMILES

CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C

0 references

found in taxon

Eucalyptus globulus

2 references

stated in

Configurational and Conformational Analysis of Macrocarpals H, I, and J from Eucalyptus globulus.

stated in

Macrocarpals H, I, and J from the Leaves of Eucalyptus globulus

Identifiers

InChI

InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17-,20+,21-,27+,28-/m1/s1

0 references

InChIKey

PXQFFMATXFLUPK-WFKARHRNSA-N

0 references

CAS Registry Number

179388-54-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXQFFMATXFLUPK-WFKARHRNSA-N

ChEBI ID

168083

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17-,20+,21-,27+,28-/m1/s1

(Q110186258)

1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-

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