(Q105344732)

English

Methyl 15,16-epoxy-12(R)-acetoxy-8(20),13(16),14-ent-labdatrien-19-oate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 5-[2-acetyloxy-2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

388.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aR,5S,8aR)-5-[(2R)-2-acetyloxy-2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,4aS,5R,8aS)-5-[(2R)-2-acetyloxy-2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₅

0 references

canonical SMILES

O=C(OC(C1=COC=C1)CC2C(=C)CCC3C(C(=O)OC)(C)CCCC23C)C

0 references

isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1C[C@@H](OC(C)=O)c1ccoc1

0 references

found in taxon

Stuckenia pectinata

1 reference

stated in

ent-Labdane diterpenes from the aquatic plant Potamogeton pectinatus

Identifiers

InChI

InChI=1S/C23H32O5/c1-15-7-8-20-22(3,10-6-11-23(20,4)21(25)26-5)18(15)13-19(28-16(2)24)17-9-12-27-14-17/h9,12,14,18-20H,1,6-8,10-11,13H2,2-5H3/t18-,19-,20-,22+,23-/m1/s1

0 references

InChIKey

XYXTXIACRWPXFQ-VOUHSTLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYXTXIACRWPXFQ-VOUHSTLWSA-N

1 reference

(Q105344732)

Methyl 15,16-epoxy-12(R)-acetoxy-8(20),13(16),14-ent-labdatrien-19-oate

Statements

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