(Q105001705)

English

(Z)-2-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S,5beta,9alpha,10alpha,13Z)-Labda-8(20),13-diene-15,16,19-triol

1 reference

based on heuristic

inferred from InChI

(Z)-2-[2-[(1R,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-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)CCC1C(=C)CCC2C(C)(CO)CCCC12C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@@H]1CC/C(=C/CO)CO

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found in taxon

Andrographis paniculata

1 reference

stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

Identifiers

InChI

InChI=1S/C20H34O3/c1-15-5-8-18-19(2,14-23)10-4-11-20(18,3)17(15)7-6-16(13-22)9-12-21/h9,17-18,21-23H,1,4-8,10-14H2,2-3H3/b16-9-/t17-,18-,19+,20+/m1/s1

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InChIKey

FUHGIRXMYOFRFO-MBLHVHFBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FUHGIRXMYOFRFO-MBLHVHFBSA-N

1 reference

(Q105001705)

(Z)-2-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol

Statements

Identifiers

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