(Q105328328)

English

3-O-[(2R,4aR,8R,8aS)-8-[(3S)-5-hydroxy-3-methylpentyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-yl] 1-O-methyl propanedioate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

408.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₅

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canonical SMILES

O=C(OC)CC(=O)OC1CC(C)(C)C2CC=C(C)C(CCC(C)CCO)C2(C)C1

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isomeric SMILES

COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@H]2CC=C(C)[C@@H](CC[C@H](C)CCO)[C@@]2(C)C1

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found in taxon

Baccharis latifolia

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C24H40O5/c1-16(11-12-25)7-9-19-17(2)8-10-20-23(3,4)14-18(15-24(19,20)5)29-22(27)13-21(26)28-6/h8,16,18-20,25H,7,9-15H2,1-6H3/t16-,18 ,19 ,20 ,24 /m0/s1

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InChIKey

XHWGHIJXIYCDEW-PWFQQWTISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHWGHIJXIYCDEW-PWFQQWTISA-N

(Q105328328)

3-O-[(2R,4aR,8R,8aS)-8-[(3S)-5-hydroxy-3-methylpentyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-yl] 1-O-methyl propanedioate

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Identifiers

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