(Q105035272)

English

(1R,2S,3S,5S,7R,8R,9S,10S,11R,16S,18R)-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,18-pentol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12,12-Dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,18-pentol

1 reference

based on heuristic

inferred from SMILES

mass

452.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₇

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canonical SMILES

OC1C(=C)C2CC(O)C3C45CCCC(C)(C)C5C(O)C(O)(OC4OCCC(C)C)C13C2O

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isomeric SMILES

C=C1[C@@H]2C[C@H](O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(O[C@@H]5OCCC(C)C)[C@@]3([C@@H]1O)[C@@H]2O

0 references

found in taxon

Isodon rubescens

1 reference

stated in

Cytotoxic ent-kauranoid derivatives from Isodon rubescens

Identifiers

InChI

InChI=1S/C25H40O7/c1-12(2)7-10-31-21-23-9-6-8-22(4,5)17(23)20(29)25(30,32-21)24-16(23)15(26)11-14(19(24)28)13(3)18(24)27/h12,14-21,26-30H,3,6-11H2,1-2,4-5H3/t14-,15-,16-,17+,18+,19+,20-,21-,23+,24-,25+/m0/s1

0 references

InChIKey

HYEIYKWRVPNFES-MYMNRFDMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HYEIYKWRVPNFES-MYMNRFDMSA-N

(Q105035272)

(1R,2S,3S,5S,7R,8R,9S,10S,11R,16S,18R)-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,18-pentol

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Identifiers

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