HALICHONDRIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H86O20
Molecular Weight	1127.3128
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@H]6[C@H](C)[C@H]7OC(=O)C[C@H]8CC[C@@H]9O[C@@H]%10[C@H]%11O[C@]%12(O)C[C@@](CC[C@H]%13CC(=C)[C@H](CC[C@H]%14C[C@@H](C)C(=C)[C@@H](C[C@@H]7O[C@H]6C[C@H]5O4)O%14)O%13)(O[C@H]%10%12)O[C@H]%11[C@H]9O8)C[C@@H]3O2)O[C@H]%15C[C@H](O[C@@H]1%15)[C@@H](O)C[C@@H](O)CO

InChI

InChIKey=YRFGXHUJNOHXQO-BEMDRSKZSA-N

InChI=1S/C60H86O20/c1-26-13-33-7-9-37-27(2)14-35(66-37)11-12-57-25-60(65)56(80-57)55-54(79-60)53(78-57)52-38(70-55)10-8-34(68-52)16-47(64)73-51-31(6)50-43(69-42(51)17-39(67-33)30(26)5)19-41-45(72-50)22-59(74-41)23-46-49(77-59)29(4)21-58(76-46)20-28(3)48-44(75-58)18-40(71-48)36(63)15-32(62)24-61/h26,28-29,31-46,48-56,61-63,65H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39-,40+,41-,42+,43+,44+,45-,46+,48+,49+,50+,51-,52+,53+,54+,55-,56-,57-,58-,59+,60-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C60H86O20
Molecular Weight	1127.3128
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	32 / 32
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:46 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:46 GMT 2025`
Record UNII	9482880YOP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-HALICHONDRIN C

Preferred Name

English

HALICHONDRIN C

Common Name

English

HALICHONDRIN A, 13-DEOXY-

Common Name

English

HALICHONDRIN C [MI]

Common Name

English

Code System Code Type Description

FDA UNII

9482880YOP

Created by admin on Mon Mar 31 23:04:46 GMT 2025 , Edited by admin on Mon Mar 31 23:04:46 GMT 2025

PRIMARY

CAS

101383-38-4

Created by admin on Mon Mar 31 23:04:46 GMT 2025 , Edited by admin on Mon Mar 31 23:04:46 GMT 2025

PRIMARY

MERCK INDEX

m5898

Created by admin on Mon Mar 31 23:04:46 GMT 2025 , Edited by admin on Mon Mar 31 23:04:46 GMT 2025

PRIMARY

Merck Index

PUBCHEM

57333215

Created by admin on Mon Mar 31 23:04:46 GMT 2025 , Edited by admin on Mon Mar 31 23:04:46 GMT 2025

PRIMARY