LANATOSIDE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H76O20
Molecular Weight	985.1157
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](OC(C)=O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=XVAPNQFQPDAROQ-CAPSWCROSA-N

InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C49H76O20
Molecular Weight	985.1157
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:38:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:54 GMT 2023`
Record UNII	3822U6I4Z0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LANATOSIDE B

Common Name

English

NSC-7535

Code

English

LANATOSIDE B [MI]

Common Name

English

DIGILANIDE B

Common Name

English

Code System Code Type Description

MERCK INDEX

m6674