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Details

Stereochemistry EPIMERIC
Molecular Formula C30H54
Molecular Weight 414.7498
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CUCURBITANE

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])CCC4[C@@]([H])(CCCC4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=ZYZJWAJOTPNVPI-ZVBSCDOUSA-N
InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-16-18-30(8)26-15-14-24-25(13-10-17-27(24,4)5)28(26,6)19-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24?,25-,26-,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H54
Molecular Weight 414.7498
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VQU8QE865A
Record Status Validated (UNII)
Record Version