(Q110193962)

English

[(1S,1'R,3'S,5R,6S,7S,9S,11R)-3',7-diacetyloxy-11-hydroxy-6',6'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

492.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₉

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canonical SMILES

O=C(OCC1C(C)(C)CCC(OC(=O)C)C21COC(=O)C34CC(C(=C)C3O)CC(OC(=O)C)C42)C

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isomeric SMILES

C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2COC(C)=O)[C@@H]1O

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found in taxon

Isodon rubescens

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stated in

19-oxygenated ent-kaurane diterpenoids from Isodon pharicus

stated in

Antiproliferative Diterpenoids from the Leaves ofIsodon rubescens

Identifiers

InChI

InChI=1S/C26H36O9/c1-13-17-9-18(34-15(3)28)21-25(10-17,22(13)30)23(31)33-12-26(21)19(11-32-14(2)27)24(5,6)8-7-20(26)35-16(4)29/h17-22,30H,1,7-12H2,2-6H3/t17-,18+,19-,20+,21-,22-,25+,26+/m1/s1

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InChIKey

KVDFKPXGNFCJGZ-HCCBELQXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110193962)

[(1S,1'R,3'S,5R,6S,7S,9S,11R)-3',7-diacetyloxy-11-hydroxy-6',6'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate

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Identifiers

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