Tetrocarcin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C67H96N2O24
Molecular Weight	1313.4781
Optical Activity	UNSPECIFIED
Defined Stereocenters	29 / 29
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C=C[C@@]3([H])\C(C)=C\C[C@H](O[C@H]4C[C@@](C)([C@@H](NC(=O)OC)[C@@H](C)O4)[N+]([O-])=O)\C(C)=C\[C@]5([H])[C@@H](O)C=C(C[C@]56OC(=O)C(=C6O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)C[C@H](C)[C@@H]2O[C@H]7C[C@@H](O[C@H]8CC[C@@H](O[C@H]9C[C@@H](O)[C@@H](O[C@H]%10CC[C@@H](O)[C@H](C)O%10)[C@H](C)O9)[C@H](C)O8)[C@@H](OC(C)=O)[C@H](C)O7)C=O

InChI

InChIKey=WMZWPJLTTUCZTC-TZZDMNFISA-N

InChI=1S/C67H96N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23-24,29,32-38,41-54,56-60,72-74,76H,17-22,25-28H2,1-13H3,(H,68,78)/b30-14+,31-23+/t32-,33-,34-,35-,36-,37-,38+,41-,42-,43+,44+,45-,46+,47-,48+,49+,50-,51-,52-,53-,54-,56+,57-,58-,59-,60-,65-,66+,67-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C67H96N2O24
Molecular Weight	1313.4781
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	29 / 29
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:59 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:59 GMT 2023`
Record UNII	6MDB3PC4NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tetrocarcin A

Common Name

English

Antlermicin A

Common Name

English

18H-16a,19-Metheno-16aH-benzo[b]naphth[2,1-j]oxacyclotetradecin-15-carboxaldehyde, 1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-tetradecahydro-13,21-dihydroxy-1,3,7,11,20a-pentamethyl-18,20-dioxo-10-[[2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-C-methyl-3

Systematic Name

English

Antibiotic DC11

Common Name

English

(1S,3S,4S,4aS,6aS,7E,10S,11E,12aR,13S,16aS,20aS,20bR)-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-Tetradecahydro-13,21-dihydroxy-1,3,7,11,20a-pentamethyl-18,20-dioxo-10-[[2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-C-methyl-3-nitro-β-D-xylo-hexopyranosy

Systematic Name

English

Code System Code Type Description

CAS

73666-84-9

Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023

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FDA UNII

6MDB3PC4NB

Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023

PRIMARY

EPA CompTox

DTXSID601317678

Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023

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