(Q105218703)

English

(E)-2-[2-[(1S,2R,4aR,8aR)-2-(hydroxymethyl)-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

clerodane diterpenoid

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mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-2-[2-[(1S,2R,4aR,8aR)-2-(hydroxymethyl)-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

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canonical SMILES

OCC=C(CO)CCC1(C)C(CO)CCC2(C(=CCCC21)C)C

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isomeric SMILES

CC1=CCC[C@@H]2[C@](C)(CC/C(=C\CO)CO)[C@H](CO)CC[C@@]12C

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found in taxon

Baccharis boliviensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Baccharis bolivensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C20H34O3/c1-15-5-4-6-18-19(15,2)11-8-17(14-23)20(18,3)10-7-16(13-22)9-12-21/h5,9,17-18,21-23H,4,6-8,10-14H2,1-3H3/b16-9 /t17-,18-,19-,20 /m0/s1

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InChIKey

QDAQTNBAKZVGTN-RKSSVGEUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QDAQTNBAKZVGTN-RKSSVGEUSA-N

(Q105218703)

(E)-2-[2-[(1S,2R,4aR,8aR)-2-(hydroxymethyl)-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol

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Identifiers

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