(Q105126136)

English

[(1R,2R,3R,4S,6R,7S,9R,10S,11S,13S)-2,6-diacetyloxy-3,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,6-Diacetyloxy-3,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

492.235932732 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₆O₉

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canonical SMILES

O=C(OC1CC2(C)C3C(O)CC4C(=C)C(=O)C3(C4)C(OC(=O)C)C(O)C2C(C)(C)C1OC(=O)C)C

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isomeric SMILES

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

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found in taxon

Isodon angustifolius

1 reference

stated in

Glabcensin V–Y, four ent-kaurane diterpenoids from Isodon angustifolius var. Glabrescens

Identifiers

InChI

InChI=1S/C26H36O9/c1-11-15-8-16(30)19-25(7)10-17(33-12(2)27)22(34-13(3)28)24(5,6)20(25)18(31)23(35-14(4)29)26(19,9-15)21(11)32/h15-20,22-23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18-,19+,20-,22+,23+,25-,26+/m1/s1

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InChIKey

JEJPLPRCEVPAKS-LPZADHOISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEJPLPRCEVPAKS-LPZADHOISA-N

(Q105126136)

[(1R,2R,3R,4S,6R,7S,9R,10S,11S,13S)-2,6-diacetyloxy-3,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Statements

Identifiers

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