(Q105146475)

English

[(1R,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1-[(3S)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl 2-phenylacetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-Hydroxy-5-(hydroxymethyl)-1-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl 2-phenylacetate

1 reference

based on heuristic

inferred from SMILES

mass

458.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₅

0 references

canonical SMILES

O=C(OCC1CC(O)C2(C(=CCCC2C1(C)CCC(C)CCO)CO)C)CC=3C=CC=CC3

0 references

isomeric SMILES

C[C@H](CCO)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]21

0 references

found in taxon

Moquiniastrum paniculatum

1 reference

stated in

Dimeric sesquiterpene lactones and kolavane derivatives from Gochnatia paniculata

Identifiers

InChI

InChI=1S/C28H42O5/c1-20(13-15-29)12-14-27(2)23(19-33-26(32)16-21-8-5-4-6-9-21)17-25(31)28(3)22(18-30)10-7-11-24(27)28/h4-6,8-10,20,23-25,29-31H,7,11-19H2,1-3H3/t20-,23-,24+,25-,27-,28-/m0/s1

0 references

InChIKey

KVDRBIDXUWTEJH-NYCRRLSRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVDRBIDXUWTEJH-NYCRRLSRSA-N

(Q105146475)

[(1R,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1-[(3S)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl 2-phenylacetate

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