(Q105259364)

English

[(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(7-Amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

426.251857568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄N₂O₄

0 references

canonical SMILES

O=C(OC1CCC23OC=4C(=C(O)C=C5C(=N)NCC45)CC3(C)C(C)CCC2C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CNC5=N)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C

0 references

found in taxon

Stachybotrys

1 reference

stated in

Novel Stachyflin Derivatives from Stachybotrys sp. RF-7260

Identifiers

InChI

InChI=1S/C25H34N2O4/c1-13-6-7-19-23(3,4)20(30-14(2)28)8-9-25(19)24(13,5)11-16-18(29)10-15-17(21(16)31-25)12-27-22(15)26/h10,13,19-20,29H,6-9,11-12H2,1-5H3,(H2,26,27)/t13-,19-,20-,24+,25-/m0/s1

0 references

InChIKey

SRQPHLOVMOMPSO-RGXVLITJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

206245

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H34N2O4/c1-13-6-7-19-23(3,4)20(30-14(2)28)8-9-25(19)24(13,5)11-16-18(29)10-15-17(21(16)31-25)12-27-22(15)26/h10,13,19-20,29H,6-9,11-12H2,1-5H3,(H2,26,27)/t13-,19-,20-,24+,25-/m0/s1

1 reference

Natural Product Atlas ID

NPA008970

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SRQPHLOVMOMPSO-RGXVLITJSA-N

(Q105259364)

[(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate

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