(Q76415103)

English

(1S,2S,5S,7S,9R,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol

chemical compound

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instance of

type of chemical entity

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subclass of

7-(2-Hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

437.292994108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,5S,7S,9S,10S,11S,14R)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol

1 reference

based on heuristic

inferred from InChI

(1R,2R,5R,7R,9R,10S,11S,14S)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₉NO₃

0 references

canonical SMILES

OC1CC(OC2CCC3(C)C(CCC4CC=5C=6C=CC=CC6NC5C43C)C12C)C(O)(C)C

0 references

isomeric SMILES

C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)([C@@H](C[C@H](O3)C(C)(C)O)O)C

0 references

found in taxon

Albophoma yamanashiensis

3 references

stated in

Terpendoles, novel ACAT inhibitors produced by Albophoma yamanashiensis. III. Production, isolation and structure elucidation of new components

stated in

Terpendoles, novel ACAT inhibitors produced by Albophoma yamanashiensis. III. Production, isolation and structure elucidation of new components

stated in

Terpendoles, novel ACAT inhibitors produced by Albophoma yamanashiensis. III. Production, isolation and structure elucidation of new components

Tolypocladium cylindrosporum

1 reference

stated in

Tetramic Acids and Pyridone Alkaloids from the Endolichenic Fungus Tolypocladium cylindrosporum

Identifiers

InChI

InChI=1S/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1

0 references

InChIKey

SVYIMXYKHRBHSG-KYYKPQATSA-N

0 references

PubChem CID

10094631

1 reference

matched by identifier from

InChIKey

SVYIMXYKHRBHSG-KYYKPQATSA-N

ChEBI ID

138863

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1

1 reference

Natural Product Atlas ID

NPA016267

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SVYIMXYKHRBHSG-KYYKPQATSA-N

(Q76415103)

(1S,2S,5S,7S,9R,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol

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