(Q110193959)

English

[(1S,1'S,3'R,5S,6S,7S,9S,11R)-11-acetyloxy-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

448.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₈

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canonical SMILES

O=CC1C(C)(C)CCC(OC(=O)C)C21COC(=O)C34CC(C(=C)C3OC(=O)C)CC(O)C42

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isomeric SMILES

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

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found in taxon

Isodon rubescens

2 references

stated in

19-oxygenated ent-kaurane diterpenoids from Isodon pharicus

stated in

Antiproliferative Diterpenoids from the Leaves ofIsodon rubescens

Identifiers

InChI

InChI=1S/C24H32O8/c1-12-15-8-16(28)19-23(9-15,20(12)32-14(3)27)21(29)30-11-24(19)17(10-25)22(4,5)7-6-18(24)31-13(2)26/h10,15-20,28H,1,6-9,11H2,2-5H3/t15-,16+,17-,18+,19-,20-,23+,24+/m1/s1

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InChIKey

DMTUICWUTDJSDW-NERVRHONSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DMTUICWUTDJSDW-NERVRHONSA-N

(Q110193959)

[(1S,1'S,3'R,5S,6S,7S,9S,11R)-11-acetyloxy-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate

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Identifiers

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