(Q105139104)

English

(1R,2S,4R,9R,10S,11S,13S,16S)-2,11,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-8,15-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,11,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-8,15-dione

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1C(=C)C2CC(O)C3C4(C(=O)CCC(C)(C)C4CC(O)C13C2O)C

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isomeric SMILES

C=C1C(=O)[C@@]23[C@@H](O)C[C@@H]4C(C)(C)CCC(=O)[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1[C@@H]3O

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found in taxon

Isodon scoparius

1 reference

stated in

ent-Kaurane diterpenoids from Isodon scoparius.

Identifiers

InChI

InChI=1S/C20H28O5/c1-9-10-7-11(21)15-19(4)12(18(2,3)6-5-13(19)22)8-14(23)20(15,16(9)24)17(10)25/h10-12,14-15,17,21,23,25H,1,5-8H2,2-4H3/t10-,11-,12+,14-,15-,17-,19-,20+/m0/s1

0 references

InChIKey

KDECXSAOPHZRBA-HCNOAOPWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KDECXSAOPHZRBA-HCNOAOPWSA-N

(Q105139104)

(1R,2S,4R,9R,10S,11S,13S,16S)-2,11,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-8,15-dione

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Identifiers

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