TRABECTEDIN METABOLITE M16C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H41N3O11S
Molecular Weight	747.811
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRABECTEDIN METABOLITE M16C

Structure Search

SMILES

[H][C@@]12[C@@H]3SC[C@]4(NCCC5=CC(O)=C(O)C=C45)C(=O)OC[C@H](N1[C@@H](O)[C@@H]6CC7=CC(C)=C(OC)C(O)=C7[C@H]2N6C)C8=C3C(OC(C)=O)=C(C)C9=C8OCO9

InChI

InChIKey=SEGZXEPQDIKMHQ-BUURXMNCSA-N

InChI=1S/C38H41N3O11S/c1-15-8-19-9-21-36(46)41-22-12-49-37(47)38(20-11-24(44)23(43)10-18(20)6-7-39-38)13-53-35(29(41)28(40(21)4)25(19)30(45)31(15)48-5)27-26(22)34-33(50-14-51-34)16(2)32(27)52-17(3)42/h8,10-11,21-22,28-29,35-36,39,43-46H,6-7,9,12-14H2,1-5H3/t21-,22-,28+,29+,35+,36-,38+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TRABECTEDIN METABOLITE M16C

Common Name

English

1R,2R,3R,11S,12S,14R,26R)-5,6',7',12-TETRAHYDROXY-6-METHOXY-7,21,30-TRIMETHYL-27-OXO-3',4'-DIHYDRO-2'H-17,19,28-TRIOXA-24-THIA-13,30-DIAZASPIRO(HEPTACYCLO(12.9.6.13,11.02,13.04,9.015,23.016,20)TRIACONTANE-26,1'-ISOQUINOLINE)-4,6,8,15,20,22-HEXAEN-22-YL A

Systematic Name

English

Code System Code Type Description

FDA UNII

FH953C3STD

Created by admin on Sat Dec 16 15:13:06 GMT 2023 , Edited by admin on Sat Dec 16 15:13:06 GMT 2023

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PUBCHEM

156596924

Created by admin on Sat Dec 16 15:13:06 GMT 2023 , Edited by admin on Sat Dec 16 15:13:06 GMT 2023

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