(Q105028842)

English

(4aS,8aS)-4-[(3R)-5-hydroxy-3-methylpentyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

306.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₂

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canonical SMILES

O=C1C(=C(CCC(C)CCO)C2(C)CCCC(C)(C)C2C1)C

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isomeric SMILES

CC1=C(CC[C@@H](C)CCO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O

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found in taxon

Aeonium lindleyi

1 reference

stated in

Leishmanicidal and Reversal Multidrug Resistance Constituents fromAeonium lindleyi

Identifiers

InChI

InChI=1S/C20H34O2/c1-14(9-12-21)7-8-16-15(2)17(22)13-18-19(3,4)10-6-11-20(16,18)5/h14,18,21H,6-13H2,1-5H3/t14-,18+,20-/m1/s1

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InChIKey

HIGKUUCVPCKYSX-HEFCMCLBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HIGKUUCVPCKYSX-HEFCMCLBSA-N

(Q105028842)

(4aS,8aS)-4-[(3R)-5-hydroxy-3-methylpentyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one

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Identifiers

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