(Q105131452)

English

(1S,2R,4S,6S,9R,13S,16S,17R)-2-hydroxy-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecane-17-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,4R,6S,9R,13S,16S,17R)-2-hydroxy-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecane-17-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

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canonical SMILES

O=CC12C3OC(=O)C45CC(C(=C)C4O)CC(OC(=O)C1C(C)(C)CC3)C52

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isomeric SMILES

C=C1[C@@H]2C[C@@H]3OC(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54C=O)[C@@H]1O

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found in taxon

Isodon henryi

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stated in

Cytotoxic ent-kaurane diterpenoids from Isodon henryi

Isodon rubescens

1 reference

stated in

Two new diterpenoids and other constituents from Isodon rubescens

Identifiers

InChI

InChI=1S/C20H24O6/c1-9-10-6-11-13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14(16(23)25-11)20(12,13)8-21/h8,10-15,22H,1,4-7H2,2-3H3/t10-,11+,12+,13-,14-,15-,19+,20+/m1/s1

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InChIKey

JMIUNKRFQSRSEF-DLUDBGOLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105131452)

(1S,2R,4S,6S,9R,13S,16S,17R)-2-hydroxy-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecane-17-carbaldehyde

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Identifiers

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