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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N2O3
Molecular Weight 472.6184
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CORTISTATIN A

SMILES

[H][C@@]12CC[C@H](C3=CC4=C(C=CN=C4)C=C3)[C@@]1(C)CC=C5C=C6[C@@H](O)[C@H](O)[C@H](C[C@]67CC[C@]25O7)N(C)C

InChI

InChIKey=KSGZCKSNTAJOJS-DZBMUNJRSA-N
InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H36N2O3
Molecular Weight 472.6184
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6VG04XOV89
Record Status Validated (UNII)
Record Version