(Q105253948)

English

[(1S,4R,8R,9R,11R,12R,13S,16S,18R)-9-hydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-18-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

420.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4S,8R,9R,11R,12R,13S,16R,18R)-9-hydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-18-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₇

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canonical SMILES

O=C(OC1C(=C)C2CCC3C1(C(=O)OC4CCC(C)(C)C5C(O)OC(OC)C435)C2)C

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isomeric SMILES

C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@@H](OC)[C@@]324)[C@@H]1OC(C)=O

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found in taxon

Isodon rosthornii

1 reference

stated in

Bioactive ent-kaurane diterpenoids from Isodon rosthornii

Identifiers

InChI

InChI=1S/C23H32O7/c1-11-13-6-7-14-22(10-13,17(11)28-12(2)24)19(26)29-15-8-9-21(3,4)16-18(25)30-20(27-5)23(14,15)16/h13-18,20,25H,1,6-10H2,2-5H3/t13-,14+,15+,16+,17+,18+,20+,22-,23-/m0/s1

0 references

InChIKey

SIPOVHWTQPMHLV-IDIYREKXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SIPOVHWTQPMHLV-IDIYREKXSA-N

1 reference

(Q105253948)

[(1S,4R,8R,9R,11R,12R,13S,16S,18R)-9-hydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-18-yl] acetate

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Identifiers

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