HALICHONDRIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H86O19
Molecular Weight	1111.3134
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@@]5([H])C[C@@]6([H])O[C@]%12(C[C@@]6([H])O[C@@]5([H])[C@H](C)[C@@]4([H])OC(=O)C[C@@]7([H])CC[C@]8([H])O[C@@]9([H])[C@H]%10O[C@@]%11(C[C@H]%10O[C@@]9([H])[C@@]([H])(O%11)[C@@]8([H])O7)CC1)C[C@]%13([H])O[C@]%14(C[C@H](C)[C@]%15([H])O[C@@]([H])(C[C@]%15([H])O%14)[C@@H](O)C[C@@H](O)CO)C[C@H](C)[C@]%13([H])O%12)O3)O2

InChI

InChIKey=FXNFULJVOQMBCW-VZBLNRDYSA-N

InChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,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-,47+,49+,50+,51+,52-,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C60H86O19
Molecular Weight	1111.3134
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 `Sat Dec 16 10:47:21 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:21 GMT 2023`
Record UNII	269R6PFM59
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HALICHONDRIN B

Common Name

English

HALICHONDRIN B [MI]

Common Name

English

HALICHONDRIN B, (-)-

Common Name

English

HALICHONDRIN A, 12,13-DIDEOXY-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67422