(Q104955562)

English

(Z)-5-[(1S,2R,4aR,5R,6R,7R,8aR)-5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

354.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₅

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canonical SMILES

O=C(O)C=C(C)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(O)C

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isomeric SMILES

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

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found in taxon

Baccharis tucumanensis

1 reference

stated in

A diterpene acid from baccharis tucumanensis

Identifiers

InChI

InChI=1S/C20H34O5/c1-12(10-16(22)23)6-8-18(3)13(2)7-9-19(4)15(18)11-14(21)17(24)20(19,5)25/h10,13-15,17,21,24-25H,6-9,11H2,1-5H3,(H,22,23)/b12-10-/t13-,14-,15-,17-,18+,19-,20+/m1/s1

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InChIKey

CEDNNIXKNUOVGD-PYJMUDTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEDNNIXKNUOVGD-PYJMUDTRSA-N

(Q104955562)

(Z)-5-[(1S,2R,4aR,5R,6R,7R,8aR)-5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

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