(Q105329068)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

Macrocarpal E

1 reference

based on heuristic

inferred from InChIKey

mass

472.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₆

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canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2CCC(C3=CC(CCC32C)C(O)(C)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@@H](C)C2=C[C@@H](C(C)(C)O)CC[C@@]21C

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found in taxon

Eucalyptus globulus

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stated in

Macrocarpals: HIV-RTase inhibitors of Eucalyptus globulus

Identifiers

InChI

InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h12-18,21,31-34H,7-11H2,1-6H3/t16-,17+,18-,21-,28-/m1/s1

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InChIKey

XJNGQIYBMXBCRU-RHUSKIKKSA-N

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CAS Registry Number

142628-54-4

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105329068)

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

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