(Q105245164)

English

(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1S,2S,8S,9S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione

1 reference

based on heuristic

inferred from SMILES

(9R,10S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione

1 reference

based on heuristic

inferred from SMILES

9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione

1 reference

based on heuristic

inferred from SMILES

mass

344.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₅

0 references

canonical SMILES

O=C1C=CC(C)(C)C2C(O)C3(O)OCC12C4CCC5C(=C)C(=O)C43C5

0 references

isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O

0 references

found in taxon

Isodon eriocalyx

5 references

stated in

Laxiflorolides A and B, epimeric bishomoditerpene lactones from Isodon eriocalyx

stated in

Diterpenoids from isodon eriocalyx

stated in

Diterpenoids from Isodon eriocalyx var. laxiflora

stated in

Diterpenoids from Isodon eriocalyx

stated in

Cytotoxic ent-kaurane diterpenoids from Isodon eriocalyx var. laxiflora

Identifiers

InChI

InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,16+,18-,19+,20-/m1/s1

0 references

InChIKey

RTIKCEKESDRWAE-UJVKWQRCSA-N

0 references

CAS Registry Number

84745-95-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RTIKCEKESDRWAE-UJVKWQRCSA-N

1 reference

1 reference

matched by identifier from

InChIKey

RTIKCEKESDRWAE-UJVKWQRCSA-N

(Q105245164)

(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione

Statements

Identifiers

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