(Q105376243)

English

(1R,2S,5S,8S,9S,10S,11R,13S,16S,18R)-10,13,18-trihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10,13,18-trihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one

1 reference

based on heuristic

inferred from SMILES

mass

378.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₆

0 references

canonical SMILES

O=C1C(=C)C2CCC3C1(C2O)C4OC(OC)C53CCC(O)C(C)(C)C5C4O

0 references

isomeric SMILES

C=C1C(=O)[C@@]23[C@@H]4O[C@H](OC)[C@]5(CC[C@H](O)C(C)(C)[C@H]5[C@@H]4O)[C@@H]2CC[C@@H]1[C@H]3O

0 references

found in taxon

Isodon coetsa

2 references

stated in

Flavonoids from Isodon oresbius

stated in

Diterpenoids from Rabdosia coetsoides

Identifiers

InChI

InChI=1S/C21H30O6/c1-9-10-5-6-11-20-8-7-12(22)19(2,3)14(20)13(23)17(27-18(20)26-4)21(11,15(9)24)16(10)25/h10-14,16-18,22-23,25H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14+,16+,17+,18-,20+,21-/m0/s1

0 references

InChIKey

ZICFDQGMGPQQGJ-BHOHCADESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZICFDQGMGPQQGJ-BHOHCADESA-N

(Q105376243)

(1R,2S,5S,8S,9S,10S,11R,13S,16S,18R)-10,13,18-trihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

Statements

Identifiers

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