ER-076349

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H58O12
Molecular Weight	730.8813
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
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@H](C[C@H](O)CO)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]5([H])CC[C@]6([H])O[C@@]7([H])[C@@]8([H])O[C@@]9(C[C@@]8([H])O[C@@]7([H])[C@@]([H])(O9)[C@@]6([H])O5)CC1)O3)O2

InChI

InChIKey=SOGFSQSGBFDQFA-JBQZKEIOSA-N

InChI=1S/C40H58O12/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,41,43H,2-3,5-18H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H58O12
Molecular Weight	730.8813
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:59:13 GMT 2023` Edited by `admin` on `Sat Dec 16 19:59:13 GMT 2023`
Record UNII	67XUM42NP8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ER-076349

Code

English

(2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS)-2-[(2S)-2,3-Dihydroxypropyl]hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-11,15:18,21:24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2′,3′:5,6]pyrano[4

Systematic Name

English

B1793

Code

English

B-1793

Code

English

Eribulin mesylate intermediate 3

Common Name

English

ER076349

Code

English

Code System Code Type Description

PUBCHEM

11297138

Created by admin on Sat Dec 16 19:59:13 GMT 2023 , Edited by admin on Sat Dec 16 19:59:13 GMT 2023

PRIMARY

FDA UNII

67XUM42NP8

Created by admin on Sat Dec 16 19:59:13 GMT 2023 , Edited by admin on Sat Dec 16 19:59:13 GMT 2023

PRIMARY

CAS

253128-15-3

Created by admin on Sat Dec 16 19:59:13 GMT 2023 , Edited by admin on Sat Dec 16 19:59:13 GMT 2023

PRIMARY