2'-O-ACETYLACTEIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H58O12
Molecular Weight	718.8706
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3(C)[C@]4([H])CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)C[C@]7(O[C@H](O)[C@@]8(C)O[C@@H]78)O2)CC[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9OC(C)=O)C5(C)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	718.8706
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 Dec 16 02:16:35 UTC 2023` Edited by `admin` on `Sat Dec 16 02:16:35 UTC 2023`
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 Dec 16 02:16:35 UTC 2023 , Edited by admin on Sat Dec 16 02:16:35 UTC 2023

PRIMARY

CAS

345968-83-4

Created by admin on Sat Dec 16 02:16:35 UTC 2023 , Edited by admin on Sat Dec 16 02:16:35 UTC 2023

PRIMARY

PUBCHEM

21592425

Created by admin on Sat Dec 16 02:16:35 UTC 2023 , Edited by admin on Sat Dec 16 02:16:35 UTC 2023

PRIMARY

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