(Q113958766)

English

(1S,4R,4aR,7S,7aR,8S,11aR)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-(prop-1-en-2-yl)-1H,2H,3H,4H,5H,6H,7H,7aH,8H,11H-cyclohexa[e]naphthalen-1-ol

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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403.287514804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₇NO

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canonical SMILES

OC1CCC(C)C2(C)CCC(C)C3C(C4=CNC=5C=CC=CC54)C(=CCC132)C(=C)C

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isomeric SMILES

C=C(C)C1=CC[C@]23[C@@H](O)CC[C@@H](C)[C@@]2(C)CC[C@H](C)[C@@H]3[C@@H]1c1c[nH]c2ccccc12

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Aspergillus aculeatus

1 reference

Dereplication Guided Discovery of Secondary Metabolites of Mixed Biosynthetic Origin from Aspergillus aculeatus

Identifiers

InChI=1S/C28H37NO/c1-17(2)20-13-15-28-24(30)11-10-19(4)27(28,5)14-12-18(3)26(28)25(20)22-16-29-23-9-7-6-8-21(22)23/h6-9,13,16,18-19,24-26,29-30H,1,10-12,14-15H2,2-5H3/t18-,19+,24-,25-,26+,27+,28+/m0/s1

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IADIAESBTTUWPK-GPQOOMGTSA-N

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1 reference

matched by identifier from

IADIAESBTTUWPK-GPQOOMGTSA-N

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C28H37NO/c1-17(2)20-13-15-28-24(30)11-10-19(4)27(28,5)14-12-18(3)26(28)25(20)22-16-29-23-9-7-6-8-21(22)23/h6-9,13,16,18-19,24-26,29-30H,1,10-12,14-15H2,2-5H3/t18-,19+,24-,25-,26+,27+,28+/m0/s1

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IADIAESBTTUWPK-GPQOOMGTSA-N

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