(Q105027434)

English

(1R,2S,5S,8R,9R,10S,11R,15S,16S,18R)-16-butoxy-9,10,15,18-tetrahydroxy-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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instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

436.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₇

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canonical SMILES

O=C1C(=C)C2CCC3C1(C2O)C4(O)OC(OCCCC)C53C(O)CCC(C)(C)C5C4O

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isomeric SMILES

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

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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/C24H36O7/c1-5-6-11-30-20-22-14-8-7-13-12(2)17(26)23(14,18(13)27)24(29,31-20)19(28)16(22)21(3,4)10-9-15(22)25/h13-16,18-20,25,27-29H,2,5-11H2,1,3-4H3/t13-,14-,15-,16+,18+,19-,20-,22-,23-,24-/m0/s1

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InChIKey

HFOYBPKZZDOLDW-NEUQYWNHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HFOYBPKZZDOLDW-NEUQYWNHSA-N

1 reference

(Q105027434)

(1R,2S,5S,8R,9R,10S,11R,15S,16S,18R)-16-butoxy-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

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Identifiers

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