Stereochemistry | ABSOLUTE |
Molecular Formula | 3C30H45O4.Al |
Molecular Weight | 1436.0092 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 27 / 27 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Al+3].[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)C([O-])=O.[H][C@@]67C[C@](C)(CC[C@]6(C)CC[C@]8(C)C7=CC(=O)[C@]9([H])[C@@]%10(C)CC[C@H](O)C(C)(C)[C@]%10([H])CC[C@@]89C)C([O-])=O.[H][C@@]%11%12C[C@](C)(CC[C@]%11(C)CC[C@]%13(C)C%12=CC(=O)[C@]%14([H])[C@@]%15(C)CC[C@H](O)C(C)(C)[C@]%15([H])CC[C@@]%13%14C)C([O-])=O
InChI
InChIKey=JIQUHOXNCWKESF-UBYPFOLZSA-K
InChI=1S/3C30H46O4.Al/c3*1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h3*16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;;;+3/p-3/t3*19-,21-,22-,23+,26+,27-,28-,29+,30+;/m000./s1