(Q104965624)

English

(1S,4aS,5R,6R,8aR)-5-[(4S)-4,5-dihydroxy-3-methylidenepentyl]-6-hydroxy-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(4,5-dihydroxy-3-methylidenepentyl)-6-hydroxy-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

354.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₅

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(O)(C)CCC12

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isomeric SMILES

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

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found in taxon

Juniperus thurifera

1 reference

stated in

8-hydroxy-labdanes from Juniperus thurifera

Identifiers

InChI

InChI=1S/C20H34O5/c1-13(14(22)12-21)6-7-16-18(2)9-5-10-19(3,17(23)24)15(18)8-11-20(16,4)25/h14-16,21-22,25H,1,5-12H2,2-4H3,(H,23,24)/t14-,15-,16-,18+,19+,20-/m1/s1

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InChIKey

CNCXIENRSPUXDN-SEVYPCERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNCXIENRSPUXDN-SEVYPCERSA-N

(Q104965624)

(1S,4aS,5R,6R,8aR)-5-[(4S)-4,5-dihydroxy-3-methylidenepentyl]-6-hydroxy-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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