(Q105251248)

English

(1R,2S,3S,5S,8R,9R,13S,14S,15R)-3,14-dihydroxy-11,11,16,16-tetramethyl-6-methylidene-10,12,21-trioxahexacyclo[11.6.2.01,15.02,8.05,9.08,13]henicosan-7-one

chemical compound

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instance of

type of chemical entity

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subclass of

kaurane diterpenoid

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mass

404.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₆

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canonical SMILES

O=C1C(=C)C2CC(O)C3C45COC6(OC(OC2C136)(C)C)C(O)C5C(C)(C)CCC4

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isomeric SMILES

C=C1C(=O)[C@@]23[C@H]4[C@@H](O)C[C@@H]1[C@H]2OC(C)(C)O[C@@]31OC[C@]42CCCC(C)(C)[C@H]2[C@@H]1O

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found in taxon

Isodon rosthornii

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stated in

Bioactive ent-kaurane diterpenoids from Isodon rosthornii

Identifiers

InChI

InChI=1S/C23H32O6/c1-11-12-9-13(24)14-21-8-6-7-19(2,3)15(21)17(26)23(27-10-21)22(14,16(11)25)18(12)28-20(4,5)29-23/h12-15,17-18,24,26H,1,6-10H2,2-5H3/t12-,13-,14-,15+,17-,18+,21+,22-,23+/m0/s1

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InChIKey

SEKRXIHSDMCWCV-ZUSNALBSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SEKRXIHSDMCWCV-ZUSNALBSSA-N

1 reference

(Q105251248)

(1R,2S,3S,5S,8R,9R,13S,14S,15R)-3,14-dihydroxy-11,11,16,16-tetramethyl-6-methylidene-10,12,21-trioxahexacyclo[11.6.2.01,15.02,8.05,9.08,13]henicosan-7-one

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Identifiers

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