Cristacarpin

(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol

Also Known As: Cristacarpin|Erythrabyssin I|Erythrabissin I|Crystacarpin|6alpha-Hydroxyphaseollidin|HY-N3642|9166AF|NP4692|TN3719|FS-8617|(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol|6H-Benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6aS-cis)-|6h-benzofuro(3,2-c)(1)benzopyran-3,6a(11ah)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-,(6as-cis)-|(1S,10S)-14-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-5,10-diol|(6AR,11AS)-9-METHOXY-10-(3-METHYLBUT-2-ENYL)-6,11A-DIHYDRO-(1)BENZOFURO(3,2-C)CHROMENE-3,6A-DIOL|(6aS)-10-(3-Methyl-2-butenyl)-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3,6aalpha(11aalphaH)-diol|(6aS,11aS)-9-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol|(6aS,11aS)-9-Methoxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol|(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-(1)benzofuro(3,2-c)chromene-3,6a-diol|6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-|6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6aS-cis)-|6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-|9-Methoxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol

Molecular Formula	C21H22O5
Molecular Weight	354.14673 g/mol
LogP	3.5
Topological Polar Surface Area	68.2 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	354.14673
Monoisotopic Mass	354.14673
Heavy Atoms	26
Complexity	545.0

Chemical Identifiers

CAS Number	78065-40-4
SMILES	CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=CC(=C4)O)O)OC)C
InChIKey	ZHPYEBFYLDGZKF-LEWJYISDSA-N