VB-311

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H60O17
Molecular Weight	800.8835
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]6(O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC3=CC(CCCCC)=CC4=C3[C@]5([H])C=C(C)CC[C@@]5([H])C(C)(C)O4)[C@H](O)[C@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=HSANCOGPVWLQHU-LCDCYPFKSA-N

InChI=1S/C39H60O17/c1-5-6-7-8-18-12-21(26-19-11-17(2)9-10-20(19)39(3,4)56-22(26)13-18)51-37-34(49)31(46)35(55-38-33(48)30(45)28(43)24(15-41)53-38)25(54-37)16-50-36-32(47)29(44)27(42)23(14-40)52-36/h11-13,19-20,23-25,27-38,40-49H,5-10,14-16H2,1-4H3/t19-,20-,23-,24-,25-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H60O17
Molecular Weight	800.8835
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:12:23 UTC 2023` Edited by `admin` on `Sat Dec 16 19:12:23 UTC 2023`
Record UNII	2D48C7R49E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VB-311

Code

English

VB311

Code

English

(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6-(((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)ox

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

627218

Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023

Code System Code Type Description

FDA UNII

2D48C7R49E

Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023

PRIMARY

CAS

2699021-77-5

Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023

PRIMARY

PUBCHEM

163403999

Created by admin on Sat Dec 16 19:12:23 UTC 2023 , Edited by admin on Sat Dec 16 19:12:23 UTC 2023

PRIMARY

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