(Q105381395)

English

(3R)-5-[(1S,2S,4aS,5S,8aR)-2-hydroxy-2,5,8a-trimethyl-5-(3-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[2-hydroxy-2,5,8a-trimethyl-5-(3-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

422.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₅

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C(CCC(C)CC(=O)O)C(O)(C)CCC12)C=C(C)C

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isomeric SMILES

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

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found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C25H42O5/c1-17(2)14-22(28)30-16-23(4)11-7-12-24(5)19(23)10-13-25(6,29)20(24)9-8-18(3)15-21(26)27/h14,18-20,29H,7-13,15-16H2,1-6H3,(H,26,27)/t18-,19-,20+,23-,24-,25+/m1/s1

0 references

InChIKey

ZQCLFYPJCVYMSK-FMXHBDNISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZQCLFYPJCVYMSK-FMXHBDNISA-N

(Q105381395)

(3R)-5-[(1S,2S,4aS,5S,8aR)-2-hydroxy-2,5,8a-trimethyl-5-(3-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

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Identifiers

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