(Q105131107)

English

(2R,5S,6S,9R,13R,15S)-15-hydroxy-6-[(E,2S,5S)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-Hydroxy-6-(5-hydroxy-2-methoxyhex-3-en-2-yl)-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

1 reference

based on heuristic

inferred from SMILES

mass

414.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,5S,6S,9R,13R,15S)-15-hydroxy-6-[(E,2S,5R)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

20-O-methylcyclocitrinol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

20-O-methyl-24-epi-cyclocitrinol

1 reference

based on heuristic

inferred from InChI

(2R,5S,6S,9R,13S,15S)-15-hydroxy-6-[(E,2S,5R)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

1 reference

based on heuristic

inferred from InChI

(2R,5S,6S,9R,13S,15S)-15-hydroxy-6-[(E,2S,5S)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₄

0 references

canonical SMILES

O=C1C=C2C(C3=CCC(O)CC1C3)CCC4(C)C2CCC4C(OC)(C=CC(O)C)C

0 references

isomeric SMILES

CO[C@@](C)(/C=C/[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C

0 references

found in taxon

Penicillium citrinum

1 reference

stated in

Unusual C25 steroid isomers with bicyclo[4.4.1]A/B rings from a volcano ash-derived fungus Penicillium citrinum

Identifiers

InChI

InChI=1S/C26H38O4/c1-16(27)9-12-26(3,30-4)24-8-7-22-21-15-23(29)18-13-17(5-6-19(28)14-18)20(21)10-11-25(22,24)2/h5,9,12,15-16,18-20,22,24,27-28H,6-8,10-11,13-14H2,1-4H3/b12-9+/t16-,18+,19-,20+,22-,24-,25-,26-/m0/s1

0 references

InChIKey

JLTZJSMHAJUVNI-UPJVXKMRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JLTZJSMHAJUVNI-UPJVXKMRSA-N

1 reference

(Q105131107)

(2R,5S,6S,9R,13R,15S)-15-hydroxy-6-[(E,2S,5S)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

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