(Q105350642)

English

2-[(2E,4E,6E,8E)-17-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

group of stereoisomers with the chemical formula C₄₀H₅₆O₄

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instance of

group of stereoisomers

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1 reference

600.4178602719999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₄

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canonical SMILES

OC1CC2(OC(C=C2C(C)(C)C1)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC34OC(CC3(O)C)CC4(C)C)C)C)C)C)C

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isomeric SMILES

CC(C=CC12OC(CC1(C)C)CC2(C)O)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(\C)C1C=C2C(C)(C)CC(O)CC2(C)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13?,19-14+,22-21?,28-15?,29-16+,30-18?,31-20+

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InChIKey

YMNKXGQZDVGTFM-APKWKYNESA-N

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(Q105350642)

2-[(2E,4E,6E,8E)-17-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

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