(Q110193690)

English

[(1S,2S,3R,5S,8R,9S,10R,11S,18S)-9,10,18-trihydroxy-3,12,12-trimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

420.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₇

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canonical SMILES

O=C(OC1(C)CC2C(=C)C(=O)C3(C2O)C1C45COC3(O)C(O)C5C(C)(C)CCC4)C

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isomeric SMILES

C=C1C(=O)[C@]23[C@@H](O)[C@H]1C[C@@](C)(OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@@H]1[C@@H](O)[C@@]3(O)OC2

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found in taxon

Isodon xerophilus

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stated in

Cytotoxic ent-kauranoids from the medicinal plant Isodon xerophilus

Identifiers

InChI

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

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InChIKey

QJZVMTCAPKYCHJ-XISYAJHPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QJZVMTCAPKYCHJ-XISYAJHPSA-N

(Q110193690)

[(1S,2S,3R,5S,8R,9S,10R,11S,18S)-9,10,18-trihydroxy-3,12,12-trimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate

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Identifiers

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