 Home > Encyclopedia > (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one

(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one

(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one structure

CAS No:
82543-16-6
Formula:
C21H30O3
Chemical Name:
(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one
Synonyms:
17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one,octadecahydro-3,5-dihydroxy-10,13-dimethyl-,(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-;17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one,octadecahydro-3,5-dihydroxy-10,13-dimethyl-,[3S-(3α,5α,6β,7β,8α,9β,10α,13α,14β,15β,16β)]-;(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one;6β,7β15β,16β-Dimethylene-3β,5β-dihydroxyandostan-17-one;3β,5β-Dihydroxy-6β,7β15β,16β-dimethylene-5β-androst-17-one
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Description

White Solid

(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one Basic Attributes

Molecular Weight：

330.46

Exact Mass：

330.46

EC Number：

1308068-626-2

Characteristics

PSA：

57.53000

XLogP3：

1.81

Density：

1.3±0.1 g/cm3

Melting Point：

205-207°C

Boiling Point：

478.3±45.0 °C at 760 mmHg

Flash Point：

257.2±25.2 °C

Refractive Index：

1.621

Safety Information

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one Use and Manufacturing

Intermediate of Drospirenone

Computed Properties

Molecular Weight:330.5
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:330.21949481
Monoisotopic Mass:330.21949481
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Complexity:645
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 82543-16-6

Grade: Pharmaceutical grade

Content: 99%

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Guide of (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one

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Computed Properties
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(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one

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