(Q104399790)

English

[(1R,2R,5S,8R,9R,10R,11S,15R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(9,10-Dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,5R,8S,9R,10S,11R,15S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-15-yl acetate

1 reference

1 reference

1 reference

C₂₂H₃₀O₆

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canonical SMILES

O=C(OC1CCC(C)(C)C2C(O)C3(O)OCC12C4CCC5C(=C)C(=O)C43C5)C

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isomeric SMILES

C=C1C(=O)[C@@]23C[C@@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2OC(C)=O

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found in taxon

Isodon longitubus

2 references

stated in

Diterpenoids having ent-kaurene and ent-spiro-seco-kaurene skeletons from Rabdosia longituba

stated in

Rabdokaurins C and D, Two New Diterpenes from Rabdosia longituba.

Isodon shikokianus

1 reference

stated in

The Structures of Rabdosianin A, B, and C, Three New Diterpenoids fromRabdosia shikokianusHara

Isodon trichocarpus

1 reference

stated in

An investigation of diterpenes from the leaves of Rabdosia trichocarpa and their antibacterial activity against oral microorganisms

Isodon rugosus

1 reference

stated in

A New Diepoxy-ent-kauranoid, Rugosinin, fromIsodon rugosus

Identifiers

InChI

InChI=1S/C22H30O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14+,15+,16-,18+,20-,21+,22-/m0/s1

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InChIKey

TZECSBJPAFKEQJ-WLFSVUOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104399790)

[(1R,2R,5S,8R,9R,10R,11S,15R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

Statements

Identifiers

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