(Q104934164)

English

8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-8'-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-3,3'-dimethyl-9H,9'H-[2,2'-bicarbazole]-1,1',7,7'-tetrol

chemical compound

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instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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carbazole alkaloid

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mass

696.392708144 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₆H₅₂N₂O₄

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canonical SMILES

OC=1C=CC=2C3=CC(=C(C(O)=C3NC2C1CC=C(C)CCC=C(C)C)C4=C(O)C=5NC=6C(=CC=C(O)C6CC=C(C)CCC=C(C)C)C5C=C4C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C\Cc1c(O)ccc2c1[nH]c1c(O)c(-c3c(C)cc4c([nH]c5c(C/C=C(\C)CCC=C(C)C)c(O)ccc54)c3O)c(C)cc12

1 reference

based on heuristic

inferred from InChI

found in taxon

Murraya euchrestifolia

1 reference

stated in

New Carbazole Alkaloids from Murraya euchrestifolia.

Identifiers

InChI

InChI=1S/C46H52N2O4/c1-25(2)11-9-13-27(5)15-17-33-37(49)21-19-31-35-23-29(7)39(45(51)43(35)47-41(31)33)40-30(8)24-36-32-20-22-38(50)34(42(32)48-44(36)46(40)52)18-16-28(6)14-10-12-26(3)4/h11-12,15-16,19-24,47-52H,9-10,13-14,17-18H2,1-8H3/b27-15-,28-16+

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InChIKey

BFHBTRZNNJZPLB-XFPKHNAPSA-N

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(Q104934164)

8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-8'-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-3,3'-dimethyl-9H,9'H-[2,2'-bicarbazole]-1,1',7,7'-tetrol

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Identifiers

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