 Home > Encyclopedia > (12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol

(12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol

(12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol structure

CAS No:
477-62-3
Formula:
C36H38N2O6
Chemical Name:
(12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol
Synonyms:
8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol,2,3,12a,13,14,15,24,24a-octahydro-5,17-dimethoxy-1,13-dimethyl-,(12aR,24aR)-;Isochondrodendrine;Cycleanine,O7,O7′-didemethyl-;(12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol;Isobebeerine;Isochondodendrine;8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol,2,3,12a,13,14,15,24,24a-octahydro-5,17-dimethoxy-1,13-dimethyl-,[12aR-(12aR*,24aR*)]-;(R,R)-Isochondrodendrine;Isobebeerin;Isochondrodendrin;d-Isochondrodendrine;(+)-Isobebeerine;(+)-Isochondrodendrine;NSC 77035;548-22-1;27542-16-1;30771-08-5

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Description

Isochondrodendrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

(12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol Basic Attributes

Molecular Weight：

594.7

Exact Mass：

594.70

EC Number：

207-517-2

UNII：

RZ4K59A9CN

NSC Number：

77035

DSSTox ID：

DTXSID20197249

Characteristics

PSA：

83.9 Å²

Density：

1.239±0.06 g/cm3

Melting Point：

316 °C (decomp)

Boiling Point：

689.0±55.0 °C(Predicted)

Toxicity：

LD50 intraperitoneal in mouse: 1001mg/kg

PKA：

9.10±0.20

Computed Properties

Molecular Weight:594.7
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:594.27298694
Monoisotopic Mass:594.27298694
Topological Polar Surface Area:83.9
Heavy Atom Count:44
Complexity:866
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon tetrabromide; cro3; natriumtripolyphosphat; bromobenzene; aluminum acetate; bioglutide

Guide of (12aR,24aR)-2,3,12a,13,14,15,24,24a-Octahydro-5,17-dimethoxy-1,13-dimethyl-8,11:20,23-dietheno-1H,12H-[1,10]dioxacyclooctadecino[2,3,4-ij:11,12,13-i'j′]diisoquinoline-6,18-diol

Description
Basic Attributes
Characteristics
Computed Properties

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