(Q105141218)

English

(1S,4R,4aS,5R,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Monohydroxyisoaflavinine

1 reference

based on heuristic

inferred from SMILES

mass

421.298079488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4S,4aR,5R,7S,7aR,8R,9S,11aR)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4R,4aS,5S,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₉NO₂

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Aspergillus flavus

1 reference

stated in

Antiinsectan aflavinine derivatives from the sclerotia of Aspergillus flavus

Identifiers

InChI

InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3/t17-,18-,19+,23+,24-,25-,26+,27-,28+/m1/s1

0 references

InChIKey

KHMAONVROPNUDX-PHLGNYFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KHMAONVROPNUDX-PHLGNYFESA-N

1 reference

(Q105141218)

(1S,4R,4aS,5R,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol

Statements

Identifiers

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