(Q105211221)

English

[(2S)-2,3-dihydroxypropyl] (2E,4E)-5-[(1R,7S,8R,9S)-7-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,3-dihydroxypropyl (4E)-5-{7-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl}-2-methylpenta-2,4-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

420.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R)-2,3-dihydroxypropyl] (2E,4E)-5-[(1R,7S,8R,9R)-7-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₇

0 references

canonical SMILES

O=C(OCC(O)CO)C(=CC=CC1(OC(=O)C23CC=C(C)CCC3(O)C1CC2)C)C

0 references

isomeric SMILES

CC1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)OC[C@@H](O)CO)OC2=O)[C@@]3(O)CC1

0 references

found in taxon

Larix kaempferi

1 reference

stated in

Cytotoxic diterpenoids from the bark of Pseudolarix kaempferi and their structure-activity relationships.

Pseudolarix amabilis

1 reference

stated in

Cytotoxic diterpenoids from the bark of Pseudolarix kaempferi and their structure-activity relationships.

Identifiers

InChI

InChI=1S/C23H32O7/c1-15-6-10-22-11-8-18(23(22,28)12-7-15)21(3,30-20(22)27)9-4-5-16(2)19(26)29-14-17(25)13-24/h4-6,9,17-18,24-25,28H,7-8,10-14H2,1-3H3/b9-4+,16-5+/t17-,18-,21-,22+,23-/m0/s1

0 references

InChIKey

PLTCVTIGYXRXBT-YLSCIFOESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PLTCVTIGYXRXBT-YLSCIFOESA-N

(Q105211221)

[(2S)-2,3-dihydroxypropyl] (2E,4E)-5-[(1R,7S,8R,9S)-7-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate

Statements

Identifiers

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