(Q105197346)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

510.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₁₀

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C2CCC45C(=O)C(=C)C(CC(O)C43O)C5

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isomeric SMILES

C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@]4(C)[C@]2(O)[C@@H](O)C[C@@H]1C3

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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.

Identifiers

InChI

InChI=1S/C26H38O10/c1-12-13-9-16(28)26(34)24(3)7-4-6-23(2,15(24)5-8-25(26,10-13)20(12)32)22(33)36-21-19(31)18(30)17(29)14(11-27)35-21/h13-19,21,27-31,34H,1,4-11H2,2-3H3/t13-,14-,15-,16+,17-,18+,19-,21-,23-,24-,25+,26-/m1/s1

0 references

InChIKey

OQZUFKKMWLOWKV-ZFZFHUQUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OQZUFKKMWLOWKV-ZFZFHUQUSA-N

(Q105197346)

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

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