 Home > Encyclopedia > (1S,15S)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-10-ol

(1S,15S)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-10-ol

(1S,15S)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-10-ol structure

CAS No:
26137-45-1
Formula:
C37H40N2O6
Chemical Name:
(1S,15S)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-10-ol
Synonyms:
penduline;Penduline;26137-45-1;Penduline (Cocculus);DTXSID90180769;Berbaman-12-ol, 6,6',7-trimethoxy-2,2'-dimethyl-, (1beta)-

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(1S,15S)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-10-ol Basic Attributes

Molecular Weight：

608.7 g/mol

Exact Mass：

608.28863700 g/mol

DSSTox ID：

DTXSID90180769

Characteristics

PSA：

72.9 Å²

Drug Information

MeSH Entry Terms：

penduline

Computed Properties

Molecular Weight:608.7
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:608.28863700
Monoisotopic Mass:608.28863700
Topological Polar Surface Area:72.9
Heavy Atom Count:45
Complexity:971
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,15S)-21,22,26-trimethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-10-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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