(Q105191997)

English

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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based on heuristic

inferred from SMILES

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

496.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₉

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C2CCC45CC(C(=C)C4O)CC(O)C35

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isomeric SMILES

C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4CC[C@]3(C2)[C@@H]1O

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found in taxon

Adenostemma lavenia

1 reference

stated in

Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.

Adenostemma viscosum

1 reference

stated in

Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.

Hyalis argentea

1 reference

stated in

Diterpenes from Hyalis argentea

Stevia ovata

1 reference

stated in

Paniculosides-I - V, Diterpene-glucosides from Stevia ovata Lag.

Identifiers

InChI

InChI=1S/C26H40O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-22,27-32H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,21-,22+,24-,25-,26-/m1/s1

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InChIKey

OHCCJDCXGVSWSO-WWXRUBGDSA-N

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CAS Registry Number

60129-64-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105191997)

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

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