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I(2),Imicro-Carotene-3,3a(2),6a(2)-triol, 5a(2),18a(2)-didehydro-4a(2),5a(2)-dihydro-, (3R,3a(2)S,6a(2)S)-
CAS Number: 334490-57-2
IUPAC name: cis-(1S,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-6-methylidenecyclohexane-1,4-diol
Molecular formula: C40H56O3
Molecular weight: 584.9
InChI: InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,35-36,41-43H,6,25-28H2,1-5,7-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40-/m1/s1
InChIKey: DARXCJZXRPHHRN-SUXHJEBNSA-N
SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C
EINECS: -
