ACTAPLANIN B2

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=C(OC7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(OC8=C(Cl)C=C(C=C8)C2OC9C[C@@H](N)[C@H](O)[C@@H](C)O9)=CC3=C6)C=C5)NC(=O)C(N)C%10=CC(OC%11=CC4=CC(OC%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)=C%11C)=C(O)C=C%10)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=BZRNMBZEZQLBTO-ZFLTWHPGSA-N

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

HIDE SMILES / InChI

Molecular Formula	C84H91ClN8O35
Molecular Weight	1808.107
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	15 / 27
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:38 GMT 2023` Edited by `admin` on `Sat Dec 16 08:06:38 GMT 2023`
Record UNII	K0FL9732DI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACTAPLANIN B2

Common Name

English

Code System Code Type Description

PUBCHEM

76972552

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

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FDA UNII

K0FL9732DI

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

PRIMARY

CAS

88357-83-9

Created by admin on Sat Dec 16 08:06:38 GMT 2023 , Edited by admin on Sat Dec 16 08:06:38 GMT 2023

PRIMARY