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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H47NO3
Molecular Weight 457.6884
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MULDAMINE

SMILES

[H][C@@]12C[C@@H](OC(C)=O)[C@]([H])([C@H](C)[C@]3([H])CC[C@H](C)CN3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@@H](O)CC[C@]45C

InChI

InChIKey=ZVYUDNWAHWVPPN-WGMPUXNISA-N
InChI=1S/C29H47NO3/c1-17-6-9-25(30-16-17)18(2)27-26(33-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,30,32H,6,8-16H2,1-5H3/t17-,18+,21-,22+,23-,24-,25-,26+,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H47NO3
Molecular Weight 457.6884
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Q683N7457H
Record Status Validated (UNII)
Record Version