 Home > Encyclopedia > (16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one

(16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one

(16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one structure

CAS No:
142632-35-7
Formula:
C22H26O5
Chemical Name:
(16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Synonyms:
calanolide C;(+)-Calanolide C;CALANOLIDE C;(+-)-cis,cis-Calanolide;NSC676575;142632-35-7;2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10R,11R,12S)-;2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10R,11R,12S)-;(+/-)-Calanolide C;CHEMBL263086;SCHEMBL7036135;DTXSID40162111;ZINC5536814;NSC-676575;12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6H,10H-dipyrano[2,3-f;(+/-)-(10,11-cis,11,12-cis)-10,11-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one

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(16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one Basic Attributes

Molecular Weight：

370.4 g/mol

Exact Mass：

370.17802393 g/mol

NSC Number：

676575

DSSTox ID：

DTXSID40162111

Characteristics

PSA：

65 Å²

Drug Information

MeSH Entry Terms：

calanolide C

Computed Properties

Molecular Weight:370.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:370.17802393
Monoisotopic Mass:370.17802393
Topological Polar Surface Area:65
Heavy Atom Count:27
Complexity:666
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (16R,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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