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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O5
Molecular Weight 402.5238
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-HYDROXY-6-OXOTETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2Z)-2-METHYLBUT-2-ENOATE

SMILES

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(=O)O3)OC(=O)C(\C)=C\C

InChI

InChIKey=JSVUTGMIKPKXNQ-ORSWIJFBSA-N
InChI=1S/C24H34O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h5-7,10,14,16,18-21,23,25H,8-9,11-13H2,1-4H3/b15-5+/t14-,16-,18+,19+,20-,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H34O5
Molecular Weight 402.5238
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HMR9J54L4K
Record Status Validated (UNII)
Record Version