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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H40N4O7
Molecular Weight 652.7361
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HAPLOPHYTINE

SMILES

COC1=C(OC)C(=CC2=C1N(C)[C@@H]3C=C[C@]45CC(=O)O[C@@]46N(CC[C@@]236)CCC5)[C@@]78CCN(C)[C@]9(CCC(=O)N9C%10=C7C=CC=C%10O)C8=O

InChI

InChIKey=SFSFAWRKKRGBKI-ZLEWMSNTSA-N
InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(+)-HAPLOPHYTINE
Preferred Name English
HAPLOPHYTINE
MI  
Common Name English
ASPIDOSPERMIDIN-21-OIC ACID, 3,4-DIDEHYDRO-19-HYDROXY-16,17-DIMETHOXY-1-METHYL-15-((3AS,7R)-2,3,5,6-TETRAHYDRO-11-HYDROXY-4-METHYL-1,13-DIOXO-1H-3A,7-METHANOPYRROLO(1,2-A)(1,3)BENZODIAZOCIN-7(4H)-YL)-, .GAMMA.-LACTONE
Systematic Name English
HAPLOPHYTINE [MI]
Common Name English
Code System Code Type Description
FDA UNII
GMG37D1CWE
Created by admin on Mon Mar 31 22:40:28 GMT 2025 , Edited by admin on Mon Mar 31 22:40:28 GMT 2025
PRIMARY
MERCK INDEX
m5914
Created by admin on Mon Mar 31 22:40:28 GMT 2025 , Edited by admin on Mon Mar 31 22:40:28 GMT 2025
PRIMARY Merck Index
PUBCHEM
442103
Created by admin on Mon Mar 31 22:40:28 GMT 2025 , Edited by admin on Mon Mar 31 22:40:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID70331737
Created by admin on Mon Mar 31 22:40:28 GMT 2025 , Edited by admin on Mon Mar 31 22:40:28 GMT 2025
PRIMARY
CAS
16625-20-0
Created by admin on Mon Mar 31 22:40:28 GMT 2025 , Edited by admin on Mon Mar 31 22:40:28 GMT 2025
PRIMARY