(Q105004560)

English

(1R,2R,4S,6S,7S,10R,11S)-6-hydroxy-11-methyl-5-methylidene-13-oxapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-12-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

atisane diterpenoid

0 references

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C1OCC23CCCC1(C)C3CCC45CCC(C(=C)C4O)CC25

0 references

isomeric SMILES

C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@]5(C)CCC[C@@]4(COC5=O)[C@H]3C2)[C@H]1O

0 references

found in taxon

Aconitum heterophyllum

1 reference

stated in

Atisenol, A New Ent-atisene Diterpenoid Lactone From Aconitum heterophyllum

Identifiers

InChI

InChI=1S/C20H28O3/c1-12-13-4-8-19(16(12)21)9-5-14-18(2)6-3-7-20(14,15(19)10-13)11-23-17(18)22/h13-16,21H,1,3-11H2,2H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1

0 references

InChIKey

FYLVGTPFZJPYES-YNZDMMAESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYLVGTPFZJPYES-YNZDMMAESA-N

(Q105004560)

(1R,2R,4S,6S,7S,10R,11S)-6-hydroxy-11-methyl-5-methylidene-13-oxapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-12-one

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Identifiers

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