(Q105011311)

English

(1R,2R,4S,5S,9R,10S,12S,13R,15R,16R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,12,15,16-tetrol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

352.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₅

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canonical SMILES

OCC1(C)CCCC2(C)C1CC(O)C34C(O)C(=C)C(C(O)CC23)C4O

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isomeric SMILES

C=C1[C@@H]2[C@@H](O)C[C@H]3[C@]4(C)CCC[C@](C)(CO)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O

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found in taxon

Isodon wikstroemioides

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stated in

Cytotoxic ent-kaurane diterpenoids from Isodon wikstroemioides

Identifiers

InChI

InChI=1S/C20H32O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h11-17,21-25H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15+,16+,17+,18+,19+,20-/m0/s1

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InChIKey

GLUUDKFJKAARFN-CNDURKJHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GLUUDKFJKAARFN-CNDURKJHSA-N

1 reference

(Q105011311)

(1R,2R,4S,5S,9R,10S,12S,13R,15R,16R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,12,15,16-tetrol

Statements

Identifiers

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