2'-O-ACETYLACTEIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H58O12
Molecular Weight	718.8721
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]1([H])C[C@@]2([C@@]3([H])[C@@](C)([C@@]([H])(O)O2)O3)O[C@@]4([H])C[C@@]5(C)[C@]6([H])CC[C@@]7([H])C(C)(C)[C@]([H])(CC[C@]87C[C@@]68C[C@]([H])([C@]5(C)[C@@]14[H])OC(=O)C)O[C@@]9([H])[C@@]([H])([C@]([H])([C@@]([H])(CO9)O)O)OC(=O)C

InChI

InChIKey=KWPBPWVYOWXHER-KBHPJZKOSA-N

InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H58O12
Molecular Weight	718.8721
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 09:17:18 UTC 2021` Edited by `admin` on `Sat Jun 26 09:17:18 UTC 2021`
Record UNII	020NX485OR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-O-ACETYLACTEIN

Common Name

English

2'-ACETYLACTEIN

Common Name

English

2'-O-ACETYLACTEIN, (-)-

Common Name

English

.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23R,24R,25S,26S)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOLANOSTAN-3-YL, 2-ACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

020NX485OR

Created by admin on Sat Jun 26 09:17:18 UTC 2021 , Edited by admin on Sat Jun 26 09:17:18 UTC 2021

PRIMARY

CAS

345968-83-4

Created by admin on Sat Jun 26 09:17:18 UTC 2021 , Edited by admin on Sat Jun 26 09:17:18 UTC 2021

PRIMARY

PUBCHEM

21592425

Created by admin on Sat Jun 26 09:17:18 UTC 2021 , Edited by admin on Sat Jun 26 09:17:18 UTC 2021

PRIMARY

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