(Q105165421)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

1 reference

based on heuristic

inferred from SMILES

1-(3-Methyl-5-hydroxy-3-pentenyl)-2-methylene-5,8a-dimethyldecalin-5-methanol

1 reference

based on heuristic

inferred from SMILES

mass

306.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

acs.jmedchem.1c00409_ST.766

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z)-5-[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-5-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

2 references

based on heuristic

inferred from InChIKey

1 reference

(E)-5-[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

1 reference

based on heuristic

inferred from InChI

(E)-5-[(1S,4aS,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

1 reference

based on heuristic

inferred from InChI

5-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₂

0 references

canonical SMILES

OCC=C(C)CCC1C(=C)CCC2C(C)(CO)CCCC12C

0 references

isomeric SMILES

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

0 references

found in taxon

Brickellia lemmonii

1 reference

stated in

Guaianolides and labdanes from Brickellia species

Excoecaria agallocha

1 reference

stated in

Three Diterpenoids (Excoecarins V1-V3) and a Flavanone Glycoside from the Fresh Stem of Excoecaria agallocha

Identifiers

InChI

InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,17-18,21-22H,2,5-9,11-14H2,1,3-4H3/b15-10+/t17-,18-,19-,20+/m1/s1

0 references

InChIKey

MJHWZTRFACWHTA-MKILETCBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJHWZTRFACWHTA-MKILETCBSA-N

1 reference

(Q105165421)

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

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Identifiers

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