(Q105161479)

English

(1R,2S,3S,5S,6R,7R,8S,9R,10S,11R,18R)-6,12,12-trimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,18-pentol

chemical compound

In more languages

Statements

type of chemical entity

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kaurane diterpenoid

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368.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₆

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canonical SMILES

OC1CC2C(O)C3(C(O)C2C)C1C45COC3(O)C(O)C5C(C)(C)CCC4

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isomeric SMILES

C[C@@H]1[C@@H]2C[C@H](O)[C@@H]3[C@@]([C@@H]2O)([C@@H]1O)[C@@]1(O)OC[C@]32CCCC(C)(C)[C@H]2[C@@H]1O

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Isodon rosthornii

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Bioactive ent-kaurane diterpenoids from Isodon rosthornii

Identifiers

InChI=1S/C20H32O6/c1-9-10-7-11(21)12-18-6-4-5-17(2,3)13(18)16(24)20(25,26-8-18)19(12,14(9)22)15(10)23/h9-16,21-25H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14-,15-,16+,18-,19+,20+/m1/s1

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MCWLKBKDDXXISS-VYFIVBPTSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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