(Q105131262)

English

[(1R,2S,5S,8R,9S,10S,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(9,10,18-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(2S,5S,9S,10R,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(2S,9R,10S,11R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

1 reference

C₂₂H₃₀O₇

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canonical SMILES

O=C(OCC1(C)CCCC23COC(O)(C(O)C12)C45C(=O)C(=C)C(CCC34)C5O)C

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isomeric SMILES

C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2

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found in taxon

Isodon japonicus

2 references

stated in

ent-Kaurane diterpenoids from Isodon japonicus

stated in

ent-Kaurane diterpenoids from Isodon japonicus

Isodon xerophilus

2 references

stated in

Cytotoxic 7,20-epoxy ent-kauranoids from Isodon xerophilus

stated in

Cytotoxic 7,20-epoxy ent-kauranoids from Isodon xerophilus

Isodon parvifolius

1 reference

stated in

Antiproliferative ent-Kauranoids from Isodon parvifolius

Isodon longitubus

1 reference

stated in

Structure elucidation of longikaurin A and longikaurin B, new biologically active diterpenoids from Rabdosia longituba and chemical conversion of oridonin into dihydrolongikaurin A

Isodon trichocarpus

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C22H30O7/c1-11-13-5-6-14-20-8-4-7-19(3,9-28-12(2)23)15(20)18(26)22(27,29-10-20)21(14,16(11)24)17(13)25/h13-15,17-18,25-27H,1,4-10H2,2-3H3/t13-,14-,15+,17+,18-,19-,20+,21-,22+/m0/s1

0 references

InChIKey

JMCGQPHJXFUMBU-AUWZKFDASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMCGQPHJXFUMBU-AUWZKFDASA-N

(Q105131262)

[(1R,2S,5S,8R,9S,10S,11R,12R,18R)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

Statements

Identifiers

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