(Q104913998)

English

(1S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-hydroxy-5-(5-hydroxy-3-methylpentyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

324.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₆O₃

0 references

canonical SMILES

O=CC1(C)CCCC2(C)C(CCC(C)CCO)C(O)(C)CCC12

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isomeric SMILES

C[C@H](CCO)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(C=O)CCC[C@@]12C

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C20H36O3/c1-15(9-13-21)6-7-17-19(3)11-5-10-18(2,14-22)16(19)8-12-20(17,4)23/h14-17,21,23H,5-13H2,1-4H3/t15-,16+,17-,18+,19+,20-/m0/s1

0 references

InChIKey

ALCBRLULMRJVNI-HUTLCRKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ALCBRLULMRJVNI-HUTLCRKWSA-N

(Q104913998)

(1S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde

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Identifiers

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