KAURAN-18-OIC ACID, 13,13'-((1,10-DIOXO-1,10-DECANEDIYL)BIS(OXY))BIS-, 18,18'-ANHYDRIDE, (4.ALPHA.)-(4'.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H76O7
Molecular Weight	789.1342
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of KAURAN-18-OIC ACID, 13,13'-((1,10-DIOXO-1,10-DECANEDIYL)BIS(OXY))BIS-, 18,18'-ANHYDRIDE, (4.ALPHA.)-(4'.ALPHA.)-

Structure Search

SMILES

[H][C@@]12CC[C@]34C[C@]1(C[C@@H]3C)CC[C@]5([H])[C@@](C)(CCC[C@@]25C)C(=O)OC(=O)[C@]6(C)CCC[C@@]7(C)[C@]8([H])CC[C@@]9(C[C@]8(C[C@@H]9C)CC[C@]67[H])OC(=O)CCCCCCCCC(=O)O4

InChI

InChIKey=HGJYDJTZVSYCNN-ZFYVDBHUSA-N

InChI=1S/C50H76O7/c1-33-29-47-25-17-35-43(3)21-13-23-45(35,5)41(53)55-42(54)46(6)24-14-22-44(4)36(46)18-26-48-30-34(2)50(32-48,28-20-38(44)48)57-40(52)16-12-10-8-7-9-11-15-39(51)56-49(33,31-47)27-19-37(43)47/h33-38H,7-32H2,1-6H3/t33-,34-,35-,36-,37-,38-,43+,44+,45+,46+,47+,48+,49-,50-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H76O7
Molecular Weight	789.1342
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:37 UTC 2023` Edited by `admin` on `Sat Dec 16 10:44:37 UTC 2023`
Record UNII	HCD4PT27YZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KAURAN-18-OIC ACID, 13,13'-((1,10-DIOXO-1,10-DECANEDIYL)BIS(OXY))BIS-, 18,18'-ANHYDRIDE, (4.ALPHA.)-(4'.ALPHA.)-

Common Name

English

(1R,4S,5S,9R,13R,17S,18S,21R,22R,25S,38S,41R,43S,45S)-5,9,13,17,43,45-HEXAMETHYL-11,26,37-TRIOXANONACYCLO(36.3.2.221,25.11,38.121,25.04,9.05,41.013,18.017,22)HEPTATETRACONTANE-10,12,27,36-TETRONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

71476788

Created by admin on Sat Dec 16 10:44:37 UTC 2023 , Edited by admin on Sat Dec 16 10:44:37 UTC 2023

PRIMARY

CAS

1413933-89-7

Created by admin on Sat Dec 16 10:44:37 UTC 2023 , Edited by admin on Sat Dec 16 10:44:37 UTC 2023

PRIMARY

FDA UNII

HCD4PT27YZ

Created by admin on Sat Dec 16 10:44:37 UTC 2023 , Edited by admin on Sat Dec 16 10:44:37 UTC 2023

PRIMARY

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