(Q104938870)

English

3-[(2R)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-5H-furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[2-[(4aS,5R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

4-[2-hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C1OCC=C1CC(O)C2C(=C)CCC3C(C)(CO)C(O)CCC23C

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isomeric SMILES

C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1[C@H](O)CC1=CCOC1=O

0 references

found in taxon

Andrographis paniculata

3 references

stated in

Cell differentiation-inducing diterpenes from Andrographis paniculata Nees

stated in

Flavonoids and andrographolides from Andrographis paniculata

stated in

ent-Labdane diterpenoids from Andrographis paniculata

Identifiers

InChI

InChI=1S/C20H30O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16-,17+,19-,20+/m1/s1

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InChIKey

BNLCOXWUZAOLDT-JLEOBMEESA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BNLCOXWUZAOLDT-JLEOBMEESA-N

1 reference

(Q104938870)

3-[(2R)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-5H-furan-2-one

Statements

Identifiers

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