(Q105132663)

English

(1'S,7'S,9'S)-4,4,10',10',13'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione

group of stereoisomers with the chemical formula C₂₇H₃₃N₃O₄

In more languages

Statements

group of stereoisomers

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spiroindole alkaloid

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spiroindole alkaloid

463.24710653599993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₃N₃O₄

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canonical SMILES

CN1C(=O)C23CCCN2CC12CC1(C(=O)Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)C2C3

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isomeric SMILES

CN1C(=O)[C@@]23CCCN2C[C@@]12CC1(C(=O)Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)[C@@H]2C3

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Identifiers

InChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-21(31)27(16)14-26-15-30-11-6-9-25(30,22(32)29(26)5)13-18(26)24(27,3)4/h7-8,10,12,18H,6,9,11,13-15H2,1-5H3,(H,28,31)/t18-,25-,26+,27?/m0/s1

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JPDNNPOSGMWCHG-PGGSNAJPSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JPDNNPOSGMWCHG-PGGSNAJPSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-21(31)27(16)14-26-15-30-11-6-9-25(30,22(32)29(26)5)13-18(26)24(27,3)4/h7-8,10,12,18H,6,9,11,13-15H2,1-5H3,(H,28,31)/t18-,25-,26+,27?/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JPDNNPOSGMWCHG-PGGSNAJPSA-N

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