| SpectraBase Spectrum ID |
A4ab9vnHBd9 |
| Name |
Actinoplaanic Acid A |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H80O16 |
| InChI |
InChI=1S/C51H80O16/c1-9-39(25-36(7)49(59)60)43(52)21-19-38-24-33(4)22-32(3)23-35(6)48(58)34(5)17-20-42(67-47(57)29-41(51(63)64)27-45(55)65-30-38)15-13-11-10-12-14-31(2)16-18-37(8)66-46(56)28-40(50(61)62)26-44(53)54/h12,14,23-24,31,33-37,39-42,48,58H,9-11,13,15-22,25-30H2,1-8H3,(H,53,54)(H,59,60)(H,61,62)(H,63,64)/b14-12+,32-23+,38-24- |
| InChIKey |
ZJCPEIGQYKMZFE-PXQKRTIOSA-N |
| Molecular Weight |
949.185 g/mol |
| SMILES |
OC(C1CC(OC(CCCC\C=C\C(CCC(OC(CC(CC(=O)O)C(=O)O)=O)C)C)CCC(C(C(\C=C\(CC(\C=C/(COC(C1)=O)CCC(C(CC(C(=O)O)C)CC)=O)C)C)C)O)C)=O)=O |
| SPLASH |
splash10-0aor-0907130400-1f63133a8e9484dae532 |
| Source of Spectrum |
J-60-7900-1 |
| Synonyms |
2-[2-[(E)-11-[(14E,18Z)-4-carboxy-19-(6-carboxy-4-ethyl-3-oxoheptyl)-12-hydroxy-11,13,15,17-tetramethyl-2,6-dioxo-1,7-dioxacycloeicosa-14,18-dien-8-yl]-5-methylundec-6-en-2-yl]oxy-2-oxoethyl]butanedioic acid
2-[2-[(E)-11-[(14E,18Z)-4-carboxy-19-(6-carboxy-4-ethyl-3-oxoheptyl)-12-hydroxy-11,13,15,17-tetramethyl-2,6-dioxo-1,7-dioxacycloicosa-14,18-dien-8-yl]-5-methylundec-6-en-2-yl]oxy-2-oxoethyl]butanedioic acid
2-[2-[(E)-10-[(14E,18Z)-4-carboxy-19-(6-carboxy-4-ethyl-3-oxo-heptyl)-12-hydroxy-11,13,15,17-tetramethyl-2,6-dioxo-1,7-dioxacycloicosa-14,18-dien-8-yl]-1,4-dimethyl-dec-5-enoxy]-2-oxo-ethyl]butanedioic acid
2-[2-[(E)-11-[(14E,18Z)-4-carboxy-19-[4-ethyl-6-methyl-7-oxidanyl-3,7-bis(oxidanylidene)heptyl]-11,13,15,17-tetramethyl-12-oxidanyl-2,6-bis(oxidanylidene)-1,7-dioxacycloicosa-14,18-dien-8-yl]-5-methyl-undec-6-en-2-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid |
| Wiley ID |
1418238 |
