(Q105385066)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

494.251582796 dalton

1 reference

1 reference

C₂₆H₃₈O₉

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canonical SMILES

O=C(OC1CC2C(=C)C(O)C3(C2)C(OC(=O)C)C(O)C4C(C)(C)C(OC(=O)C)C(O)CC4(C)C13)C

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isomeric SMILES

C=C1[C@@H]2C[C@H](OC(C)=O)[C@H]3[C@@]4(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]4[C@@H](O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1O

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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/C26H38O9/c1-11-15-8-17(33-12(2)27)19-25(7)10-16(30)22(34-13(3)28)24(5,6)20(25)18(31)23(35-14(4)29)26(19,9-15)21(11)32/h15-23,30-32H,1,8-10H2,2-7H3/t15-,16+,17+,18-,19+,20-,21-,22+,23+,25-,26+/m1/s1

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InChIKey

ZWOHEZHBBSKLMQ-RHFOTOQFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105385066)

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

Statements

Identifiers

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