YUNNANXANE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H46O9
Molecular Weight	562.6915
Optical Activity	( + )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](CC(C)=C([C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)OC(C)=O)C2(C)C)OC(=O)[C@H](C)[C@H](C)O

InChI

InChIKey=FMPIEMVVEJGMCY-YYURHUSPSA-N

InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22+,23+,24+,26+,27+,28+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H46O9
Molecular Weight	562.6915
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:41 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:41 GMT 2023`
Record UNII	T725E7U7QJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YUNNANXANE

Common Name

English

Yunnanxane, (+)-

Common Name

English

(+)-YUNNANXANE

Systematic Name

English

[(1R,2R,3R,8R,10R,14S)-2,5,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-hydroxy-2-methylbutanoate

Systematic Name

English

BUTANOIC ACID, 3-HYDROXY-2-METHYL-, 3,5,11-TRIS(ACETYLOXY)-1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-6,10-METHANOBENZOCYCLODECEN-7-YL ESTER, (3S-(3.ALPHA.,4A.ALPHA.,5.ALPHA.,6.BETA.,7.BETA.(2S*,3R*),11.BETA.,12A.BETA.))-

Systematic Name

English

Code System Code Type Description

CAS

139713-81-8