Compound 27-487

(5S,5aR,8aR,9R)-5-[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-1'-methylspiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,4'-piperidine]-6-yl]oxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride

Also Known As: Compound 27-487|NSC-B-116351|KST-1A9076|NSC B 116351|(5r,5ar,8ar,9s)-9-{[(4a'r,6'r,7'r,8'r,8a's)-7',8'-dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl]oxy}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one hydrochloride(1:1)|(5S,5aR,8aR,9R)-5-[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-1'-methylspiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,4'-piperidine]-6-yl]oxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride|4'-Demethyl-1-O-(4,6-O-(1-methyl-4-piperidylidene)-beta-D-glucopyranosyl)epipodophyllotoxin hydrochloride|Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-(1-methyl-4-piperidinylidene)-beta-D-glucopyranosyl)oxy)-, hydrochloride, (5R-(5alpha,5abeta,8aalpha,9beta))-|(5R,5aR,8aR,9S)-9-{[(4'aR,6'R,7'R,8'R,8'aS)-7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl]oxy}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)|(5S,5aR,8aR,9R)-5-[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-1'-methylspiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,4'-piperidine]-6-yl]oxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride|4'-DEMETHYL-1-O-(4,6-O-(1-METHYL-4-PIPERIDYLIDENE)-.BETA.-D-GLUCOPYRANOSYL)EPIPODOPHYLLOTOXIN HYDROCHLORIDE|9-[(7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl)oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)|FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-((4,6-O-(1-METHYL-4-PIPERIDINYLIDENE)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-, HYDROCHLORIDE

Molecular Formula	C33H40ClNO13
Molecular Weight	693.2188 g/mol
LogP	1.8363
Topological Polar Surface Area	164.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	5
Exact Mass	693.2188
Monoisotopic Mass	693.2188
Heavy Atoms	48
Complexity	1120.0

Chemical Identifiers

CAS Number	94445-20-2
SMILES	CN1CCC2(CC1)OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)O[C@H]4[C@H]5COC(=O)[C@@H]5[C@@H](C6=CC7=C(C=C46)OCO7)C8=CC(=C(C(=C8)OC)O)OC)O)O.Cl
InChIKey	BDVVLVNGXLFJBB-NDCBBRKYSA-N