ACTAPLANIN B3

Details

Stereochemistry	UNKNOWN
Molecular Formula	C84H91ClN8O35
Molecular Weight	1808.107
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 27
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(CC5=CC=C(OC6=CC3=CC(OC7=C(Cl)C=C(C=C7)C2OC8C[C@@H](N)[C@H](O)[C@@H](C)O8)=C6OC9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9OC%10O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%10O)C=C5)NC(=O)C(N)C%11=CC(OC%12=C(C)C(O)=CC4=C%12)=C(O)C=C%11)C%13=CC(=C(O)C=C%13)C%14=C(OC%15O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%15O)C=C(O)C=C1%14

InChI

InChIKey=INTBFGWQZKLILS-IZFAQJFJSA-N

InChI=1S/C84H91ClN8O35/c1-28-45(100)17-34-19-47(28)121-48-18-31(6-12-44(48)99)57(87)76(111)88-42-14-30-4-9-37(10-5-30)119-50-20-35-21-51(73(50)127-84-74(69(107)66(104)54(27-96)125-84)128-83-71(109)68(106)65(103)53(26-95)124-83)120-46-13-8-33(16-40(46)85)72(126-55-24-41(86)63(101)29(2)118-55)62-80(115)92-61(81(116)117-3)39-22-36(97)23-49(122-82-70(108)67(105)64(102)52(25-94)123-82)56(39)38-15-32(7-11-43(38)98)58(77(112)93-62)90-79(114)60(35)91-78(113)59(34)89-75(42)110/h4-13,15-23,29,41-42,52-55,57-72,74,82-84,94-109H,14,24-27,86-87H2,1-3H3,(H,88,111)(H,89,110)(H,90,114)(H,91,113)(H,92,115)(H,93,112)/t29-,41-,42?,52-,53-,54-,55?,57?,58?,59?,60?,61?,62?,63-,64-,65-,66-,67+,68+,69+,70+,71+,72?,74-,82?,83?,84?/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ACTAPLANIN B3

Preferred Name

English

Code System Code Type Description

PUBCHEM

76965675

Created by admin on Mon Mar 31 22:02:05 GMT 2025 , Edited by admin on Mon Mar 31 22:02:05 GMT 2025

PRIMARY

FDA UNII

55M8A1V77O

Created by admin on Mon Mar 31 22:02:05 GMT 2025 , Edited by admin on Mon Mar 31 22:02:05 GMT 2025

PRIMARY

CAS

88357-84-0

Created by admin on Mon Mar 31 22:02:05 GMT 2025 , Edited by admin on Mon Mar 31 22:02:05 GMT 2025

PRIMARY

SUBSTANCE RECORD


					55M8A1V77O

ACTAPLANIN B3