PRIMULIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H88O23
Molecular Weight	1105.2627
Optical Activity	UNSPECIFIED
Defined Stereocenters	29 / 29
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]9(O[C@@H]1[C@@H](O)[C@@H](O[C@]2([H])O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@]1([H])O[C@H]4CC[C@@]5(C)[C@@]([H])(CC[C@]6(C)[C@]5([H])CC=C7[C@]8([H])CC(C)(C)CC[C@]8(CO)[C@H](O)C[C@@]67C)C4(C)C)C(O)=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O

InChI

InChIKey=LDPKDIVFHXKSCE-PCVCHNHVSA-N

InChI=1S/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46-,47-,48+,51-,52+,53+,54+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C54H88O23
Molecular Weight	1105.2627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	29 / 29
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:57:51 UTC 2023` Edited by `admin` on `Sat Dec 16 07:57:51 UTC 2023`
Record UNII	9L8V879R7J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRIMULIC ACID

Common Name

English

NSC-409073

Code

English

.BETA.-D-GALACTOPYRANOSIDURONIC ACID, (3.BETA.,16.ALPHA.)-16,28-DIHYDROXYOLEAN-12-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-.BETA.-D-GALACTOPYRANOSYL-(1->4))-

Common Name

English

GALACTOPYRANOSIDURONIC ACID, 16.ALPHA.,28-DIHYDROXYOLEAN-12-EN-3.BETA.-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->2))-, .BETA.-D-

Common Name

English

Code System Code Type Description

FDA UNII

9L8V879R7J