Catalog No.:AA00DEWF

4952-68-5 | 3-O-Benzoyl Diosgenine

Name: Name:3-O-Benzoyl Diosgenine
Brand: AABLOCKS
SKU: AA00DEWF
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA00DEWF

Chemical Name:

3-O-Benzoyl Diosgenine

CAS Number:

4952-68-5

Molecular Formula:

C34H46O4

Molecular Weight:

518.7266

MDL Number:

MFCD00272127

SMILES:

C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@H](C3)OC(=O)c1ccccc1)C

Properties

Computed Properties

Complexity:

968

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.9

Literature

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Tags:4952-68-5 Molecular Formula|4952-68-5 MDL|4952-68-5 SMILES|4952-68-5 3-O-Benzoyl Diosgenine

Catalog No.: AA00DEWF

4952-68-5 | 3-O-Benzoyl Diosgenine

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA00DEWF

Chemical Name: 3-O-Benzoyl Diosgenine

CAS Number: 4952-68-5

Molecular Formula: C34H46O4

Molecular Weight: 518.7266

MDL Number: MFCD00272127

SMILES: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@H](C3)OC(=O)c1ccccc1)C

Properties

Complexity: 968

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 11

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 38

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 7.9

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